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<title>pyerrors.input.openQCD API documentation</title>
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<body> <nav class="pdoc">
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<input id="togglestate" type="checkbox" aria-hidden="true" tabindex="-1">
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<div>
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<a class="pdoc-button module-list-button" href="../input.html">
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<svg xmlns="http://www.w3.org/2000/svg" width="16" height="16" fill="currentColor" class="bi bi-box-arrow-in-left" viewBox="0 0 16 16">
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<path fill-rule="evenodd" d="M10 3.5a.5.5 0 0 0-.5-.5h-8a.5.5 0 0 0-.5.5v9a.5.5 0 0 0 .5.5h8a.5.5 0 0 0 .5-.5v-2a.5.5 0 0 1 1 0v2A1.5 1.5 0 0 1 9.5 14h-8A1.5 1.5 0 0 1 0 12.5v-9A1.5 1.5 0 0 1 1.5 2h8A1.5 1.5 0 0 1 11 3.5v2a.5.5 0 0 1-1 0v-2z"/>
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</svg> pyerrors.input</a>
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<input type="search" placeholder="Search..." role="searchbox" aria-label="search"
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pattern=".+" required>
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<h2>API Documentation</h2>
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<ul class="memberlist">
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<li>
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<a class="function" href="#read_rwms">read_rwms</a>
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</li>
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<li>
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<a class="function" href="#extract_t0">extract_t0</a>
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</li>
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<li>
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<a class="function" href="#read_qtop">read_qtop</a>
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</li>
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<li>
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<a class="function" href="#qtop_projection">qtop_projection</a>
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</li>
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<li>
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<a class="function" href="#read_qtop_sector">read_qtop_sector</a>
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</nav>
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<main class="pdoc">
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<section>
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<h1 class="modulename">
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<a href="./../../pyerrors.html">pyerrors</a><wbr>.<a href="./../input.html">input</a><wbr>.openQCD </h1>
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<details>
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<summary>View Source</summary>
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<div class="codehilite"><pre><span></span><span class="kn">import</span> <span class="nn">os</span>
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<span class="kn">import</span> <span class="nn">fnmatch</span>
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<span class="kn">import</span> <span class="nn">re</span>
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<span class="kn">import</span> <span class="nn">struct</span>
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<span class="kn">import</span> <span class="nn">numpy</span> <span class="k">as</span> <span class="nn">np</span> <span class="c1"># Thinly-wrapped numpy</span>
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<span class="kn">import</span> <span class="nn">warnings</span>
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<span class="kn">import</span> <span class="nn">matplotlib.pyplot</span> <span class="k">as</span> <span class="nn">plt</span>
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<span class="kn">from</span> <span class="nn">matplotlib</span> <span class="kn">import</span> <span class="n">gridspec</span>
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<span class="kn">from</span> <span class="nn">..obs</span> <span class="kn">import</span> <span class="n">Obs</span>
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<span class="kn">from</span> <span class="nn">..fits</span> <span class="kn">import</span> <span class="n">fit_lin</span>
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<span class="k">def</span> <span class="nf">read_rwms</span><span class="p">(</span><span class="n">path</span><span class="p">,</span> <span class="n">prefix</span><span class="p">,</span> <span class="n">version</span><span class="o">=</span><span class="s1">'2.0'</span><span class="p">,</span> <span class="n">names</span><span class="o">=</span><span class="kc">None</span><span class="p">,</span> <span class="o">**</span><span class="n">kwargs</span><span class="p">):</span>
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<span class="sd">"""Read rwms format from given folder structure. Returns a list of length nrw</span>
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<span class="sd"> Parameters</span>
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<span class="sd"> ----------</span>
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<span class="sd"> path : str</span>
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<span class="sd"> path that contains the data files</span>
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<span class="sd"> prefix : str</span>
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<span class="sd"> all files in path that start with prefix are considered as input files.</span>
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<span class="sd"> May be used together postfix to consider only special file endings.</span>
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<span class="sd"> Prefix is ignored, if the keyword 'files' is used.</span>
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<span class="sd"> version : str</span>
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<span class="sd"> version of openQCD, default 2.0</span>
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<span class="sd"> names : list</span>
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<span class="sd"> list of names that is assigned to the data according according</span>
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<span class="sd"> to the order in the file list. Use careful, if you do not provide file names!</span>
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<span class="sd"> r_start : list</span>
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<span class="sd"> list which contains the first config to be read for each replicum</span>
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<span class="sd"> r_stop : list</span>
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<span class="sd"> list which contains the last config to be read for each replicum</span>
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<span class="sd"> r_step : int</span>
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<span class="sd"> integer that defines a fixed step size between two measurements (in units of configs)</span>
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<span class="sd"> If not given, r_step=1 is assumed.</span>
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<span class="sd"> postfix : str</span>
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<span class="sd"> postfix of the file to read, e.g. '.ms1' for openQCD-files</span>
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<span class="sd"> files : list</span>
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<span class="sd"> list which contains the filenames to be read. No automatic detection of</span>
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<span class="sd"> files performed if given.</span>
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<span class="sd"> print_err : bool</span>
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<span class="sd"> Print additional information that is useful for debugging.</span>
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<span class="sd"> """</span>
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<span class="n">known_oqcd_versions</span> <span class="o">=</span> <span class="p">[</span><span class="s1">'1.4'</span><span class="p">,</span> <span class="s1">'1.6'</span><span class="p">,</span> <span class="s1">'2.0'</span><span class="p">]</span>
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<span class="k">if</span> <span class="ow">not</span> <span class="p">(</span><span class="n">version</span> <span class="ow">in</span> <span class="n">known_oqcd_versions</span><span class="p">):</span>
|
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<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Unknown openQCD version defined!'</span><span class="p">)</span>
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<span class="nb">print</span><span class="p">(</span><span class="s2">"Working with openQCD version "</span> <span class="o">+</span> <span class="n">version</span><span class="p">)</span>
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<span class="k">if</span> <span class="s1">'postfix'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
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<span class="n">postfix</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'postfix'</span><span class="p">)</span>
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<span class="k">else</span><span class="p">:</span>
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<span class="n">postfix</span> <span class="o">=</span> <span class="s1">''</span>
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<span class="n">ls</span> <span class="o">=</span> <span class="p">[]</span>
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<span class="k">for</span> <span class="p">(</span><span class="n">dirpath</span><span class="p">,</span> <span class="n">dirnames</span><span class="p">,</span> <span class="n">filenames</span><span class="p">)</span> <span class="ow">in</span> <span class="n">os</span><span class="o">.</span><span class="n">walk</span><span class="p">(</span><span class="n">path</span><span class="p">):</span>
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<span class="n">ls</span><span class="o">.</span><span class="n">extend</span><span class="p">(</span><span class="n">filenames</span><span class="p">)</span>
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<span class="k">break</span>
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|
<span class="k">if</span> <span class="ow">not</span> <span class="n">ls</span><span class="p">:</span>
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|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Error, directory not found'</span><span class="p">)</span>
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<span class="k">if</span> <span class="s1">'files'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
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<span class="n">ls</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'files'</span><span class="p">)</span>
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<span class="k">else</span><span class="p">:</span>
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<span class="k">for</span> <span class="n">exc</span> <span class="ow">in</span> <span class="n">ls</span><span class="p">:</span>
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<span class="k">if</span> <span class="ow">not</span> <span class="n">fnmatch</span><span class="o">.</span><span class="n">fnmatch</span><span class="p">(</span><span class="n">exc</span><span class="p">,</span> <span class="n">prefix</span> <span class="o">+</span> <span class="s1">'*'</span> <span class="o">+</span> <span class="n">postfix</span> <span class="o">+</span> <span class="s1">'.dat'</span><span class="p">):</span>
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<span class="n">ls</span> <span class="o">=</span> <span class="nb">list</span><span class="p">(</span><span class="nb">set</span><span class="p">(</span><span class="n">ls</span><span class="p">)</span> <span class="o">-</span> <span class="nb">set</span><span class="p">([</span><span class="n">exc</span><span class="p">]))</span>
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<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">ls</span><span class="p">)</span> <span class="o">></span> <span class="mi">1</span><span class="p">:</span>
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<span class="n">ls</span><span class="o">.</span><span class="n">sort</span><span class="p">(</span><span class="n">key</span><span class="o">=</span><span class="k">lambda</span> <span class="n">x</span><span class="p">:</span> <span class="nb">int</span><span class="p">(</span><span class="n">re</span><span class="o">.</span><span class="n">findall</span><span class="p">(</span><span class="sa">r</span><span class="s1">'\d+'</span><span class="p">,</span> <span class="n">x</span><span class="p">[</span><span class="nb">len</span><span class="p">(</span><span class="n">prefix</span><span class="p">):])[</span><span class="mi">0</span><span class="p">]))</span>
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<span class="n">replica</span> <span class="o">=</span> <span class="nb">len</span><span class="p">(</span><span class="n">ls</span><span class="p">)</span>
|
|
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|
<span class="k">if</span> <span class="s1">'r_start'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">r_start</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'r_start'</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">r_start</span><span class="p">)</span> <span class="o">!=</span> <span class="n">replica</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'r_start does not match number of replicas'</span><span class="p">)</span>
|
|
<span class="n">r_start</span> <span class="o">=</span> <span class="p">[</span><span class="n">o</span> <span class="k">if</span> <span class="n">o</span> <span class="k">else</span> <span class="kc">None</span> <span class="k">for</span> <span class="n">o</span> <span class="ow">in</span> <span class="n">r_start</span><span class="p">]</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">r_start</span> <span class="o">=</span> <span class="p">[</span><span class="kc">None</span><span class="p">]</span> <span class="o">*</span> <span class="n">replica</span>
|
|
|
|
<span class="k">if</span> <span class="s1">'r_stop'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">r_stop</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'r_stop'</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">r_stop</span><span class="p">)</span> <span class="o">!=</span> <span class="n">replica</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'r_stop does not match number of replicas'</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">r_stop</span> <span class="o">=</span> <span class="p">[</span><span class="kc">None</span><span class="p">]</span> <span class="o">*</span> <span class="n">replica</span>
|
|
|
|
<span class="k">if</span> <span class="s1">'r_step'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">r_step</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'r_step'</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">r_step</span> <span class="o">=</span> <span class="mi">1</span>
|
|
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'Read reweighting factors from'</span><span class="p">,</span> <span class="n">prefix</span><span class="p">[:</span><span class="o">-</span><span class="mi">1</span><span class="p">],</span> <span class="s1">','</span><span class="p">,</span>
|
|
<span class="n">replica</span><span class="p">,</span> <span class="s1">'replica'</span><span class="p">,</span> <span class="n">end</span><span class="o">=</span><span class="s1">''</span><span class="p">)</span>
|
|
|
|
<span class="k">if</span> <span class="n">names</span> <span class="ow">is</span> <span class="kc">None</span><span class="p">:</span>
|
|
<span class="n">rep_names</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="n">entry</span> <span class="ow">in</span> <span class="n">ls</span><span class="p">:</span>
|
|
<span class="n">truncated_entry</span> <span class="o">=</span> <span class="n">entry</span><span class="o">.</span><span class="n">split</span><span class="p">(</span><span class="s1">'.'</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span>
|
|
<span class="n">idx</span> <span class="o">=</span> <span class="n">truncated_entry</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="s1">'r'</span><span class="p">)</span>
|
|
<span class="n">rep_names</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">truncated_entry</span><span class="p">[:</span><span class="n">idx</span><span class="p">]</span> <span class="o">+</span> <span class="s1">'|'</span> <span class="o">+</span> <span class="n">truncated_entry</span><span class="p">[</span><span class="n">idx</span><span class="p">:])</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">rep_names</span> <span class="o">=</span> <span class="n">names</span>
|
|
|
|
<span class="n">print_err</span> <span class="o">=</span> <span class="mi">0</span>
|
|
<span class="k">if</span> <span class="s1">'print_err'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">print_err</span> <span class="o">=</span> <span class="mi">1</span>
|
|
<span class="nb">print</span><span class="p">()</span>
|
|
|
|
<span class="n">deltas</span> <span class="o">=</span> <span class="p">[]</span>
|
|
|
|
<span class="n">configlist</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="n">r_start_index</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="n">r_stop_index</span> <span class="o">=</span> <span class="p">[]</span>
|
|
|
|
<span class="k">for</span> <span class="n">rep</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">replica</span><span class="p">):</span>
|
|
<span class="n">tmp_array</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">with</span> <span class="nb">open</span><span class="p">(</span><span class="n">path</span> <span class="o">+</span> <span class="s1">'/'</span> <span class="o">+</span> <span class="n">ls</span><span class="p">[</span><span class="n">rep</span><span class="p">],</span> <span class="s1">'rb'</span><span class="p">)</span> <span class="k">as</span> <span class="n">fp</span><span class="p">:</span>
|
|
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">4</span><span class="p">)</span> <span class="c1"># number of reweighting factors</span>
|
|
<span class="k">if</span> <span class="n">rep</span> <span class="o">==</span> <span class="mi">0</span><span class="p">:</span>
|
|
<span class="n">nrw</span> <span class="o">=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'i'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span>
|
|
<span class="k">if</span> <span class="n">version</span> <span class="o">==</span> <span class="s1">'2.0'</span><span class="p">:</span>
|
|
<span class="n">nrw</span> <span class="o">=</span> <span class="nb">int</span><span class="p">(</span><span class="n">nrw</span> <span class="o">/</span> <span class="mi">2</span><span class="p">)</span>
|
|
<span class="k">for</span> <span class="n">k</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nrw</span><span class="p">):</span>
|
|
<span class="n">deltas</span><span class="o">.</span><span class="n">append</span><span class="p">([])</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="p">((</span><span class="n">nrw</span> <span class="o">!=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'i'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span> <span class="ow">and</span> <span class="p">(</span><span class="ow">not</span> <span class="n">version</span> <span class="o">==</span> <span class="s1">'2.0'</span><span class="p">))</span> <span class="ow">or</span> <span class="p">(</span><span class="n">nrw</span> <span class="o">!=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'i'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span> <span class="o">/</span> <span class="mi">2</span> <span class="ow">and</span> <span class="n">version</span> <span class="o">==</span> <span class="s1">'2.0'</span><span class="p">)):</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Error: different number of reweighting factors for replicum'</span><span class="p">,</span> <span class="n">rep</span><span class="p">)</span>
|
|
|
|
<span class="k">for</span> <span class="n">k</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nrw</span><span class="p">):</span>
|
|
<span class="n">tmp_array</span><span class="o">.</span><span class="n">append</span><span class="p">([])</span>
|
|
|
|
<span class="c1"># This block is necessary for openQCD1.6 and openQCD2.0 ms1 files</span>
|
|
<span class="n">nfct</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">if</span> <span class="n">version</span> <span class="ow">in</span> <span class="p">[</span><span class="s1">'1.6'</span><span class="p">,</span> <span class="s1">'2.0'</span><span class="p">]:</span>
|
|
<span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nrw</span><span class="p">):</span>
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">4</span><span class="p">)</span>
|
|
<span class="n">nfct</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'i'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">])</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nrw</span><span class="p">):</span>
|
|
<span class="n">nfct</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="mi">1</span><span class="p">)</span>
|
|
|
|
<span class="n">nsrc</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nrw</span><span class="p">):</span>
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">4</span><span class="p">)</span>
|
|
<span class="n">nsrc</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'i'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">])</span>
|
|
<span class="k">if</span> <span class="n">version</span> <span class="o">==</span> <span class="s1">'2.0'</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="ow">not</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'i'</span><span class="p">,</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">4</span><span class="p">))[</span><span class="mi">0</span><span class="p">]</span> <span class="o">==</span> <span class="mi">0</span><span class="p">:</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'something is wrong!'</span><span class="p">)</span>
|
|
|
|
<span class="n">configlist</span><span class="o">.</span><span class="n">append</span><span class="p">([])</span>
|
|
<span class="k">while</span> <span class="mi">0</span> <span class="o"><</span> <span class="mi">1</span><span class="p">:</span>
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">4</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">t</span><span class="p">)</span> <span class="o"><</span> <span class="mi">4</span><span class="p">:</span>
|
|
<span class="k">break</span>
|
|
<span class="n">config_no</span> <span class="o">=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'i'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span>
|
|
<span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">config_no</span><span class="p">)</span>
|
|
<span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nrw</span><span class="p">):</span>
|
|
<span class="k">if</span><span class="p">(</span><span class="n">version</span> <span class="o">==</span> <span class="s1">'2.0'</span><span class="p">):</span>
|
|
<span class="n">tmpd</span> <span class="o">=</span> <span class="n">_read_array_openQCD2</span><span class="p">(</span><span class="n">fp</span><span class="p">)</span>
|
|
<span class="n">tmpd</span> <span class="o">=</span> <span class="n">_read_array_openQCD2</span><span class="p">(</span><span class="n">fp</span><span class="p">)</span>
|
|
<span class="n">tmp_rw</span> <span class="o">=</span> <span class="n">tmpd</span><span class="p">[</span><span class="s1">'arr'</span><span class="p">]</span>
|
|
<span class="n">tmp_nfct</span> <span class="o">=</span> <span class="mf">1.0</span>
|
|
<span class="k">for</span> <span class="n">j</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">tmpd</span><span class="p">[</span><span class="s1">'n'</span><span class="p">][</span><span class="mi">0</span><span class="p">]):</span>
|
|
<span class="n">tmp_nfct</span> <span class="o">*=</span> <span class="n">np</span><span class="o">.</span><span class="n">mean</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="o">-</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">tmp_rw</span><span class="p">[</span><span class="n">j</span><span class="p">])))</span>
|
|
<span class="k">if</span> <span class="n">print_err</span><span class="p">:</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="n">config_no</span><span class="p">,</span> <span class="n">i</span><span class="p">,</span> <span class="n">j</span><span class="p">,</span>
|
|
<span class="n">np</span><span class="o">.</span><span class="n">mean</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="o">-</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">tmp_rw</span><span class="p">[</span><span class="n">j</span><span class="p">]))),</span>
|
|
<span class="n">np</span><span class="o">.</span><span class="n">std</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="o">-</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">tmp_rw</span><span class="p">[</span><span class="n">j</span><span class="p">]))))</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'Sources:'</span><span class="p">,</span>
|
|
<span class="n">np</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="o">-</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">tmp_rw</span><span class="p">[</span><span class="n">j</span><span class="p">])))</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'Partial factor:'</span><span class="p">,</span> <span class="n">tmp_nfct</span><span class="p">)</span>
|
|
<span class="k">elif</span> <span class="n">version</span> <span class="o">==</span> <span class="s1">'1.6'</span> <span class="ow">or</span> <span class="n">version</span> <span class="o">==</span> <span class="s1">'1.4'</span><span class="p">:</span>
|
|
<span class="n">tmp_nfct</span> <span class="o">=</span> <span class="mf">1.0</span>
|
|
<span class="k">for</span> <span class="n">j</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nfct</span><span class="p">[</span><span class="n">i</span><span class="p">]):</span>
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">8</span> <span class="o">*</span> <span class="n">nsrc</span><span class="p">[</span><span class="n">i</span><span class="p">])</span>
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">8</span> <span class="o">*</span> <span class="n">nsrc</span><span class="p">[</span><span class="n">i</span><span class="p">])</span>
|
|
<span class="n">tmp_rw</span> <span class="o">=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'d'</span> <span class="o">*</span> <span class="n">nsrc</span><span class="p">[</span><span class="n">i</span><span class="p">],</span> <span class="n">t</span><span class="p">)</span>
|
|
<span class="n">tmp_nfct</span> <span class="o">*=</span> <span class="n">np</span><span class="o">.</span><span class="n">mean</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="o">-</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">tmp_rw</span><span class="p">)))</span>
|
|
<span class="k">if</span> <span class="n">print_err</span><span class="p">:</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="n">config_no</span><span class="p">,</span> <span class="n">i</span><span class="p">,</span> <span class="n">j</span><span class="p">,</span>
|
|
<span class="n">np</span><span class="o">.</span><span class="n">mean</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="o">-</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">tmp_rw</span><span class="p">))),</span>
|
|
<span class="n">np</span><span class="o">.</span><span class="n">std</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="o">-</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">tmp_rw</span><span class="p">))))</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'Sources:'</span><span class="p">,</span> <span class="n">np</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="o">-</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">tmp_rw</span><span class="p">)))</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'Partial factor:'</span><span class="p">,</span> <span class="n">tmp_nfct</span><span class="p">)</span>
|
|
<span class="n">tmp_array</span><span class="p">[</span><span class="n">i</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">tmp_nfct</span><span class="p">)</span>
|
|
|
|
<span class="n">diffmeas</span> <span class="o">=</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span> <span class="o">-</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="o">-</span><span class="mi">2</span><span class="p">]</span>
|
|
<span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="n">item</span> <span class="o">//</span> <span class="n">diffmeas</span> <span class="k">for</span> <span class="n">item</span> <span class="ow">in</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]]</span>
|
|
<span class="k">if</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">></span> <span class="mi">1</span> <span class="ow">and</span> <span class="n">diffmeas</span> <span class="o">></span> <span class="mi">1</span><span class="p">:</span>
|
|
<span class="n">warnings</span><span class="o">.</span><span class="n">warn</span><span class="p">(</span><span class="s1">'Assume thermalization and that the first measurement belongs to the first config.'</span><span class="p">)</span>
|
|
<span class="n">offset</span> <span class="o">=</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">-</span> <span class="mi">1</span>
|
|
<span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="n">item</span> <span class="o">-</span> <span class="n">offset</span> <span class="k">for</span> <span class="n">item</span> <span class="ow">in</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]]</span>
|
|
|
|
<span class="k">if</span> <span class="n">r_start</span><span class="p">[</span><span class="n">rep</span><span class="p">]</span> <span class="ow">is</span> <span class="kc">None</span><span class="p">:</span>
|
|
<span class="n">r_start_index</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="mi">0</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">try</span><span class="p">:</span>
|
|
<span class="n">r_start_index</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="n">r_start</span><span class="p">[</span><span class="n">rep</span><span class="p">]))</span>
|
|
<span class="k">except</span> <span class="ne">ValueError</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Config </span><span class="si">%d</span><span class="s1"> not in file with range [</span><span class="si">%d</span><span class="s1">, </span><span class="si">%d</span><span class="s1">]'</span> <span class="o">%</span> <span class="p">(</span>
|
|
<span class="n">r_start</span><span class="p">[</span><span class="n">rep</span><span class="p">],</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">],</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="o">-</span><span class="mi">1</span><span class="p">]))</span> <span class="kn">from</span> <span class="bp">None</span>
|
|
|
|
<span class="k">if</span> <span class="n">r_stop</span><span class="p">[</span><span class="n">rep</span><span class="p">]</span> <span class="ow">is</span> <span class="kc">None</span><span class="p">:</span>
|
|
<span class="n">r_stop_index</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">])</span> <span class="o">-</span> <span class="mi">1</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">try</span><span class="p">:</span>
|
|
<span class="n">r_stop_index</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="n">r_stop</span><span class="p">[</span><span class="n">rep</span><span class="p">]))</span>
|
|
<span class="k">except</span> <span class="ne">ValueError</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Config </span><span class="si">%d</span><span class="s1"> not in file with range [</span><span class="si">%d</span><span class="s1">, </span><span class="si">%d</span><span class="s1">]'</span> <span class="o">%</span> <span class="p">(</span>
|
|
<span class="n">r_stop</span><span class="p">[</span><span class="n">rep</span><span class="p">],</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">],</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="o">-</span><span class="mi">1</span><span class="p">]))</span> <span class="kn">from</span> <span class="bp">None</span>
|
|
|
|
<span class="k">for</span> <span class="n">k</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nrw</span><span class="p">):</span>
|
|
<span class="n">deltas</span><span class="p">[</span><span class="n">k</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">tmp_array</span><span class="p">[</span><span class="n">k</span><span class="p">][</span><span class="n">r_start_index</span><span class="p">[</span><span class="n">rep</span><span class="p">]:</span><span class="n">r_stop_index</span><span class="p">[</span><span class="n">rep</span><span class="p">]</span> <span class="o">+</span> <span class="mi">1</span><span class="p">][::</span><span class="n">r_step</span><span class="p">])</span>
|
|
|
|
<span class="k">if</span> <span class="n">np</span><span class="o">.</span><span class="n">any</span><span class="p">([</span><span class="nb">len</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">unique</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">diff</span><span class="p">(</span><span class="n">cl</span><span class="p">)))</span> <span class="o">!=</span> <span class="mi">1</span> <span class="k">for</span> <span class="n">cl</span> <span class="ow">in</span> <span class="n">configlist</span><span class="p">]):</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Irregular spaced data in input file!'</span><span class="p">,</span> <span class="p">[</span><span class="nb">len</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">unique</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">diff</span><span class="p">(</span><span class="n">cl</span><span class="p">)))</span> <span class="k">for</span> <span class="n">cl</span> <span class="ow">in</span> <span class="n">configlist</span><span class="p">])</span>
|
|
<span class="n">stepsizes</span> <span class="o">=</span> <span class="p">[</span><span class="nb">list</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">unique</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">diff</span><span class="p">(</span><span class="n">cl</span><span class="p">)))[</span><span class="mi">0</span><span class="p">]</span> <span class="k">for</span> <span class="n">cl</span> <span class="ow">in</span> <span class="n">configlist</span><span class="p">]</span>
|
|
<span class="k">if</span> <span class="n">np</span><span class="o">.</span><span class="n">any</span><span class="p">([</span><span class="n">step</span> <span class="o">!=</span> <span class="mi">1</span> <span class="k">for</span> <span class="n">step</span> <span class="ow">in</span> <span class="n">stepsizes</span><span class="p">]):</span>
|
|
<span class="n">warnings</span><span class="o">.</span><span class="n">warn</span><span class="p">(</span><span class="s1">'Stepsize between configurations is greater than one!'</span> <span class="o">+</span> <span class="nb">str</span><span class="p">(</span><span class="n">stepsizes</span><span class="p">),</span> <span class="ne">RuntimeWarning</span><span class="p">)</span>
|
|
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">','</span><span class="p">,</span> <span class="n">nrw</span><span class="p">,</span> <span class="s1">'reweighting factors with'</span><span class="p">,</span> <span class="n">nsrc</span><span class="p">,</span> <span class="s1">'sources'</span><span class="p">)</span>
|
|
<span class="n">result</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="n">idl</span> <span class="o">=</span> <span class="p">[</span><span class="nb">range</span><span class="p">(</span><span class="n">configlist</span><span class="p">[</span><span class="n">rep</span><span class="p">][</span><span class="n">r_start_index</span><span class="p">[</span><span class="n">rep</span><span class="p">]],</span> <span class="n">configlist</span><span class="p">[</span><span class="n">rep</span><span class="p">][</span><span class="n">r_stop_index</span><span class="p">[</span><span class="n">rep</span><span class="p">]]</span> <span class="o">+</span> <span class="mi">1</span><span class="p">,</span> <span class="n">r_step</span><span class="p">)</span> <span class="k">for</span> <span class="n">rep</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">replica</span><span class="p">)]</span>
|
|
|
|
<span class="k">for</span> <span class="n">t</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nrw</span><span class="p">):</span>
|
|
<span class="n">result</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">Obs</span><span class="p">(</span><span class="n">deltas</span><span class="p">[</span><span class="n">t</span><span class="p">],</span> <span class="n">rep_names</span><span class="p">,</span> <span class="n">idl</span><span class="o">=</span><span class="n">idl</span><span class="p">))</span>
|
|
<span class="k">return</span> <span class="n">result</span>
|
|
|
|
|
|
<span class="k">def</span> <span class="nf">extract_t0</span><span class="p">(</span><span class="n">path</span><span class="p">,</span> <span class="n">prefix</span><span class="p">,</span> <span class="n">dtr_read</span><span class="p">,</span> <span class="n">xmin</span><span class="p">,</span> <span class="n">spatial_extent</span><span class="p">,</span> <span class="n">fit_range</span><span class="o">=</span><span class="mi">5</span><span class="p">,</span> <span class="o">**</span><span class="n">kwargs</span><span class="p">):</span>
|
|
<span class="sd">"""Extract t0 from given .ms.dat files. Returns t0 as Obs.</span>
|
|
|
|
<span class="sd"> It is assumed that all boundary effects have</span>
|
|
<span class="sd"> sufficiently decayed at x0=xmin.</span>
|
|
<span class="sd"> The data around the zero crossing of t^2<E> - 0.3</span>
|
|
<span class="sd"> is fitted with a linear function</span>
|
|
<span class="sd"> from which the exact root is extracted.</span>
|
|
|
|
<span class="sd"> It is assumed that one measurement is performed for each config.</span>
|
|
<span class="sd"> If this is not the case, the resulting idl, as well as the handling</span>
|
|
<span class="sd"> of r_start, r_stop and r_step is wrong and the user has to correct</span>
|
|
<span class="sd"> this in the resulting observable.</span>
|
|
|
|
<span class="sd"> Parameters</span>
|
|
<span class="sd"> ----------</span>
|
|
<span class="sd"> path : str</span>
|
|
<span class="sd"> Path to .ms.dat files</span>
|
|
<span class="sd"> prefix : str</span>
|
|
<span class="sd"> Ensemble prefix</span>
|
|
<span class="sd"> dtr_read : int</span>
|
|
<span class="sd"> Determines how many trajectories should be skipped</span>
|
|
<span class="sd"> when reading the ms.dat files.</span>
|
|
<span class="sd"> Corresponds to dtr_cnfg / dtr_ms in the openQCD input file.</span>
|
|
<span class="sd"> xmin : int</span>
|
|
<span class="sd"> First timeslice where the boundary</span>
|
|
<span class="sd"> effects have sufficiently decayed.</span>
|
|
<span class="sd"> spatial_extent : int</span>
|
|
<span class="sd"> spatial extent of the lattice, required for normalization.</span>
|
|
<span class="sd"> fit_range : int</span>
|
|
<span class="sd"> Number of data points left and right of the zero</span>
|
|
<span class="sd"> crossing to be included in the linear fit. (Default: 5)</span>
|
|
<span class="sd"> r_start : list</span>
|
|
<span class="sd"> list which contains the first config to be read for each replicum.</span>
|
|
<span class="sd"> r_stop : list</span>
|
|
<span class="sd"> list which contains the last config to be read for each replicum.</span>
|
|
<span class="sd"> r_step : int</span>
|
|
<span class="sd"> integer that defines a fixed step size between two measurements (in units of configs)</span>
|
|
<span class="sd"> If not given, r_step=1 is assumed.</span>
|
|
<span class="sd"> plaquette : bool</span>
|
|
<span class="sd"> If true extract the plaquette estimate of t0 instead.</span>
|
|
<span class="sd"> names : list</span>
|
|
<span class="sd"> list of names that is assigned to the data according according</span>
|
|
<span class="sd"> to the order in the file list. Use careful, if you do not provide file names!</span>
|
|
<span class="sd"> files : list</span>
|
|
<span class="sd"> list which contains the filenames to be read. No automatic detection of</span>
|
|
<span class="sd"> files performed if given.</span>
|
|
<span class="sd"> plot_fit : bool</span>
|
|
<span class="sd"> If true, the fit for the extraction of t0 is shown together with the data.</span>
|
|
<span class="sd"> assume_thermalization : bool</span>
|
|
<span class="sd"> If True: If the first record divided by the distance between two measurements is larger than</span>
|
|
<span class="sd"> 1, it is assumed that this is due to thermalization and the first measurement belongs</span>
|
|
<span class="sd"> to the first config (default).</span>
|
|
<span class="sd"> If False: The config numbers are assumed to be traj_number // difference</span>
|
|
<span class="sd"> """</span>
|
|
|
|
<span class="n">ls</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="p">(</span><span class="n">dirpath</span><span class="p">,</span> <span class="n">dirnames</span><span class="p">,</span> <span class="n">filenames</span><span class="p">)</span> <span class="ow">in</span> <span class="n">os</span><span class="o">.</span><span class="n">walk</span><span class="p">(</span><span class="n">path</span><span class="p">):</span>
|
|
<span class="n">ls</span><span class="o">.</span><span class="n">extend</span><span class="p">(</span><span class="n">filenames</span><span class="p">)</span>
|
|
<span class="k">break</span>
|
|
|
|
<span class="k">if</span> <span class="ow">not</span> <span class="n">ls</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Error, directory not found'</span><span class="p">)</span>
|
|
|
|
<span class="k">if</span> <span class="s1">'files'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">ls</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'files'</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">for</span> <span class="n">exc</span> <span class="ow">in</span> <span class="n">ls</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="ow">not</span> <span class="n">fnmatch</span><span class="o">.</span><span class="n">fnmatch</span><span class="p">(</span><span class="n">exc</span><span class="p">,</span> <span class="n">prefix</span> <span class="o">+</span> <span class="s1">'*.ms.dat'</span><span class="p">):</span>
|
|
<span class="n">ls</span> <span class="o">=</span> <span class="nb">list</span><span class="p">(</span><span class="nb">set</span><span class="p">(</span><span class="n">ls</span><span class="p">)</span> <span class="o">-</span> <span class="nb">set</span><span class="p">([</span><span class="n">exc</span><span class="p">]))</span>
|
|
<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">ls</span><span class="p">)</span> <span class="o">></span> <span class="mi">1</span><span class="p">:</span>
|
|
<span class="n">ls</span><span class="o">.</span><span class="n">sort</span><span class="p">(</span><span class="n">key</span><span class="o">=</span><span class="k">lambda</span> <span class="n">x</span><span class="p">:</span> <span class="nb">int</span><span class="p">(</span><span class="n">re</span><span class="o">.</span><span class="n">findall</span><span class="p">(</span><span class="sa">r</span><span class="s1">'\d+'</span><span class="p">,</span> <span class="n">x</span><span class="p">[</span><span class="nb">len</span><span class="p">(</span><span class="n">prefix</span><span class="p">):])[</span><span class="mi">0</span><span class="p">]))</span>
|
|
<span class="n">replica</span> <span class="o">=</span> <span class="nb">len</span><span class="p">(</span><span class="n">ls</span><span class="p">)</span>
|
|
|
|
<span class="k">if</span> <span class="s1">'r_start'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">r_start</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'r_start'</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">r_start</span><span class="p">)</span> <span class="o">!=</span> <span class="n">replica</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'r_start does not match number of replicas'</span><span class="p">)</span>
|
|
<span class="n">r_start</span> <span class="o">=</span> <span class="p">[</span><span class="n">o</span> <span class="k">if</span> <span class="n">o</span> <span class="k">else</span> <span class="kc">None</span> <span class="k">for</span> <span class="n">o</span> <span class="ow">in</span> <span class="n">r_start</span><span class="p">]</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">r_start</span> <span class="o">=</span> <span class="p">[</span><span class="kc">None</span><span class="p">]</span> <span class="o">*</span> <span class="n">replica</span>
|
|
|
|
<span class="k">if</span> <span class="s1">'r_stop'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">r_stop</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'r_stop'</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">r_stop</span><span class="p">)</span> <span class="o">!=</span> <span class="n">replica</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'r_stop does not match number of replicas'</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">r_stop</span> <span class="o">=</span> <span class="p">[</span><span class="kc">None</span><span class="p">]</span> <span class="o">*</span> <span class="n">replica</span>
|
|
|
|
<span class="k">if</span> <span class="s1">'r_step'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">r_step</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'r_step'</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">r_step</span> <span class="o">=</span> <span class="mi">1</span>
|
|
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'Extract t0 from'</span><span class="p">,</span> <span class="n">prefix</span><span class="p">,</span> <span class="s1">','</span><span class="p">,</span> <span class="n">replica</span><span class="p">,</span> <span class="s1">'replica'</span><span class="p">)</span>
|
|
|
|
<span class="k">if</span> <span class="s1">'names'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">rep_names</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'names'</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">rep_names</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="n">entry</span> <span class="ow">in</span> <span class="n">ls</span><span class="p">:</span>
|
|
<span class="n">truncated_entry</span> <span class="o">=</span> <span class="n">entry</span><span class="o">.</span><span class="n">split</span><span class="p">(</span><span class="s1">'.'</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span>
|
|
<span class="n">idx</span> <span class="o">=</span> <span class="n">truncated_entry</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="s1">'r'</span><span class="p">)</span>
|
|
<span class="n">rep_names</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">truncated_entry</span><span class="p">[:</span><span class="n">idx</span><span class="p">]</span> <span class="o">+</span> <span class="s1">'|'</span> <span class="o">+</span> <span class="n">truncated_entry</span><span class="p">[</span><span class="n">idx</span><span class="p">:])</span>
|
|
|
|
<span class="n">Ysum</span> <span class="o">=</span> <span class="p">[]</span>
|
|
|
|
<span class="n">configlist</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="n">r_start_index</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="n">r_stop_index</span> <span class="o">=</span> <span class="p">[]</span>
|
|
|
|
<span class="k">for</span> <span class="n">rep</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">replica</span><span class="p">):</span>
|
|
|
|
<span class="k">with</span> <span class="nb">open</span><span class="p">(</span><span class="n">path</span> <span class="o">+</span> <span class="s1">'/'</span> <span class="o">+</span> <span class="n">ls</span><span class="p">[</span><span class="n">rep</span><span class="p">],</span> <span class="s1">'rb'</span><span class="p">)</span> <span class="k">as</span> <span class="n">fp</span><span class="p">:</span>
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">12</span><span class="p">)</span>
|
|
<span class="n">header</span> <span class="o">=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'iii'</span><span class="p">,</span> <span class="n">t</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="n">rep</span> <span class="o">==</span> <span class="mi">0</span><span class="p">:</span>
|
|
<span class="n">dn</span> <span class="o">=</span> <span class="n">header</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span>
|
|
<span class="n">nn</span> <span class="o">=</span> <span class="n">header</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span>
|
|
<span class="n">tmax</span> <span class="o">=</span> <span class="n">header</span><span class="p">[</span><span class="mi">2</span><span class="p">]</span>
|
|
<span class="k">elif</span> <span class="n">dn</span> <span class="o">!=</span> <span class="n">header</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="ow">or</span> <span class="n">nn</span> <span class="o">!=</span> <span class="n">header</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="ow">or</span> <span class="n">tmax</span> <span class="o">!=</span> <span class="n">header</span><span class="p">[</span><span class="mi">2</span><span class="p">]:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Replica parameters do not match.'</span><span class="p">)</span>
|
|
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">8</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="n">rep</span> <span class="o">==</span> <span class="mi">0</span><span class="p">:</span>
|
|
<span class="n">eps</span> <span class="o">=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'d'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'Step size:'</span><span class="p">,</span> <span class="n">eps</span><span class="p">,</span> <span class="s1">', Maximal t value:'</span><span class="p">,</span> <span class="n">dn</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span><span class="p">)</span> <span class="o">*</span> <span class="n">eps</span><span class="p">)</span>
|
|
<span class="k">elif</span> <span class="n">eps</span> <span class="o">!=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'d'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">]:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Values for eps do not match among replica.'</span><span class="p">)</span>
|
|
|
|
<span class="n">Ysl</span> <span class="o">=</span> <span class="p">[]</span>
|
|
|
|
<span class="n">configlist</span><span class="o">.</span><span class="n">append</span><span class="p">([])</span>
|
|
<span class="k">while</span> <span class="mi">0</span> <span class="o"><</span> <span class="mi">1</span><span class="p">:</span>
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">4</span><span class="p">)</span>
|
|
<span class="k">if</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">t</span><span class="p">)</span> <span class="o"><</span> <span class="mi">4</span><span class="p">):</span>
|
|
<span class="k">break</span>
|
|
<span class="n">nc</span> <span class="o">=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'i'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span>
|
|
<span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">nc</span><span class="p">)</span>
|
|
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">8</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">))</span>
|
|
<span class="k">if</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'plaquette'</span><span class="p">):</span>
|
|
<span class="k">if</span> <span class="n">nc</span> <span class="o">%</span> <span class="n">dtr_read</span> <span class="o">==</span> <span class="mi">0</span><span class="p">:</span>
|
|
<span class="n">Ysl</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'d'</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">),</span> <span class="n">t</span><span class="p">))</span>
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">8</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">))</span>
|
|
<span class="k">if</span> <span class="ow">not</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'plaquette'</span><span class="p">):</span>
|
|
<span class="k">if</span> <span class="n">nc</span> <span class="o">%</span> <span class="n">dtr_read</span> <span class="o">==</span> <span class="mi">0</span><span class="p">:</span>
|
|
<span class="n">Ysl</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'d'</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">),</span> <span class="n">t</span><span class="p">))</span>
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">8</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">))</span>
|
|
|
|
<span class="n">Ysum</span><span class="o">.</span><span class="n">append</span><span class="p">([])</span>
|
|
<span class="k">for</span> <span class="n">i</span><span class="p">,</span> <span class="n">item</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">Ysl</span><span class="p">):</span>
|
|
<span class="n">Ysum</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="n">np</span><span class="o">.</span><span class="n">mean</span><span class="p">(</span><span class="n">item</span><span class="p">[</span><span class="n">current</span> <span class="o">+</span> <span class="n">xmin</span><span class="p">:</span>
|
|
<span class="n">current</span> <span class="o">+</span> <span class="n">tmax</span> <span class="o">-</span> <span class="n">xmin</span><span class="p">])</span>
|
|
<span class="k">for</span> <span class="n">current</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="mi">0</span><span class="p">,</span> <span class="nb">len</span><span class="p">(</span><span class="n">item</span><span class="p">),</span> <span class="n">tmax</span><span class="p">)])</span>
|
|
|
|
<span class="n">diffmeas</span> <span class="o">=</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span> <span class="o">-</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="o">-</span><span class="mi">2</span><span class="p">]</span>
|
|
<span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="n">item</span> <span class="o">//</span> <span class="n">diffmeas</span> <span class="k">for</span> <span class="n">item</span> <span class="ow">in</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]]</span>
|
|
<span class="k">if</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'assume_thermalization'</span><span class="p">,</span> <span class="kc">True</span><span class="p">)</span> <span class="ow">and</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">></span> <span class="mi">1</span><span class="p">:</span>
|
|
<span class="n">warnings</span><span class="o">.</span><span class="n">warn</span><span class="p">(</span><span class="s1">'Assume thermalization and that the first measurement belongs to the first config.'</span><span class="p">)</span>
|
|
<span class="n">offset</span> <span class="o">=</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">-</span> <span class="mi">1</span>
|
|
<span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="n">item</span> <span class="o">-</span> <span class="n">offset</span> <span class="k">for</span> <span class="n">item</span> <span class="ow">in</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]]</span>
|
|
|
|
<span class="k">if</span> <span class="n">r_start</span><span class="p">[</span><span class="n">rep</span><span class="p">]</span> <span class="ow">is</span> <span class="kc">None</span><span class="p">:</span>
|
|
<span class="n">r_start_index</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="mi">0</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">try</span><span class="p">:</span>
|
|
<span class="n">r_start_index</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="n">r_start</span><span class="p">[</span><span class="n">rep</span><span class="p">]))</span>
|
|
<span class="k">except</span> <span class="ne">ValueError</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Config </span><span class="si">%d</span><span class="s1"> not in file with range [</span><span class="si">%d</span><span class="s1">, </span><span class="si">%d</span><span class="s1">]'</span> <span class="o">%</span> <span class="p">(</span>
|
|
<span class="n">r_start</span><span class="p">[</span><span class="n">rep</span><span class="p">],</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">],</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="o">-</span><span class="mi">1</span><span class="p">]))</span> <span class="kn">from</span> <span class="bp">None</span>
|
|
|
|
<span class="k">if</span> <span class="n">r_stop</span><span class="p">[</span><span class="n">rep</span><span class="p">]</span> <span class="ow">is</span> <span class="kc">None</span><span class="p">:</span>
|
|
<span class="n">r_stop_index</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">])</span> <span class="o">-</span> <span class="mi">1</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">try</span><span class="p">:</span>
|
|
<span class="n">r_stop_index</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="n">r_stop</span><span class="p">[</span><span class="n">rep</span><span class="p">]))</span>
|
|
<span class="k">except</span> <span class="ne">ValueError</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Config </span><span class="si">%d</span><span class="s1"> not in file with range [</span><span class="si">%d</span><span class="s1">, </span><span class="si">%d</span><span class="s1">]'</span> <span class="o">%</span> <span class="p">(</span>
|
|
<span class="n">r_stop</span><span class="p">[</span><span class="n">rep</span><span class="p">],</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">],</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="o">-</span><span class="mi">1</span><span class="p">]))</span> <span class="kn">from</span> <span class="bp">None</span>
|
|
|
|
<span class="k">if</span> <span class="n">np</span><span class="o">.</span><span class="n">any</span><span class="p">([</span><span class="nb">len</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">unique</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">diff</span><span class="p">(</span><span class="n">cl</span><span class="p">)))</span> <span class="o">!=</span> <span class="mi">1</span> <span class="k">for</span> <span class="n">cl</span> <span class="ow">in</span> <span class="n">configlist</span><span class="p">]):</span>
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<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Irregular spaced data in input file!'</span><span class="p">,</span> <span class="p">[</span><span class="nb">len</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">unique</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">diff</span><span class="p">(</span><span class="n">cl</span><span class="p">)))</span> <span class="k">for</span> <span class="n">cl</span> <span class="ow">in</span> <span class="n">configlist</span><span class="p">])</span>
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|
<span class="n">stepsizes</span> <span class="o">=</span> <span class="p">[</span><span class="nb">list</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">unique</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">diff</span><span class="p">(</span><span class="n">cl</span><span class="p">)))[</span><span class="mi">0</span><span class="p">]</span> <span class="k">for</span> <span class="n">cl</span> <span class="ow">in</span> <span class="n">configlist</span><span class="p">]</span>
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|
<span class="k">if</span> <span class="n">np</span><span class="o">.</span><span class="n">any</span><span class="p">([</span><span class="n">step</span> <span class="o">!=</span> <span class="mi">1</span> <span class="k">for</span> <span class="n">step</span> <span class="ow">in</span> <span class="n">stepsizes</span><span class="p">]):</span>
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|
<span class="n">warnings</span><span class="o">.</span><span class="n">warn</span><span class="p">(</span><span class="s1">'Stepsize between configurations is greater than one!'</span> <span class="o">+</span> <span class="nb">str</span><span class="p">(</span><span class="n">stepsizes</span><span class="p">),</span> <span class="ne">RuntimeWarning</span><span class="p">)</span>
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<span class="n">idl</span> <span class="o">=</span> <span class="p">[</span><span class="nb">range</span><span class="p">(</span><span class="n">configlist</span><span class="p">[</span><span class="n">rep</span><span class="p">][</span><span class="n">r_start_index</span><span class="p">[</span><span class="n">rep</span><span class="p">]],</span> <span class="n">configlist</span><span class="p">[</span><span class="n">rep</span><span class="p">][</span><span class="n">r_stop_index</span><span class="p">[</span><span class="n">rep</span><span class="p">]]</span> <span class="o">+</span> <span class="mi">1</span><span class="p">,</span> <span class="n">r_step</span><span class="p">)</span> <span class="k">for</span> <span class="n">rep</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">replica</span><span class="p">)]</span>
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<span class="n">t2E_dict</span> <span class="o">=</span> <span class="p">{}</span>
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|
<span class="k">for</span> <span class="n">n</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">):</span>
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<span class="n">samples</span> <span class="o">=</span> <span class="p">[]</span>
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<span class="k">for</span> <span class="n">nrep</span><span class="p">,</span> <span class="n">rep</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">Ysum</span><span class="p">):</span>
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|
<span class="n">samples</span><span class="o">.</span><span class="n">append</span><span class="p">([])</span>
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|
<span class="k">for</span> <span class="n">cnfg</span> <span class="ow">in</span> <span class="n">rep</span><span class="p">:</span>
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<span class="n">samples</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">cnfg</span><span class="p">[</span><span class="n">n</span><span class="p">])</span>
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<span class="n">samples</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="n">samples</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="n">r_start_index</span><span class="p">[</span><span class="n">nrep</span><span class="p">]:</span><span class="n">r_stop_index</span><span class="p">[</span><span class="n">nrep</span><span class="p">]</span> <span class="o">+</span> <span class="mi">1</span><span class="p">][::</span><span class="n">r_step</span><span class="p">]</span>
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|
<span class="n">new_obs</span> <span class="o">=</span> <span class="n">Obs</span><span class="p">(</span><span class="n">samples</span><span class="p">,</span> <span class="n">rep_names</span><span class="p">,</span> <span class="n">idl</span><span class="o">=</span><span class="n">idl</span><span class="p">)</span>
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|
<span class="n">t2E_dict</span><span class="p">[</span><span class="n">n</span> <span class="o">*</span> <span class="n">dn</span> <span class="o">*</span> <span class="n">eps</span><span class="p">]</span> <span class="o">=</span> <span class="p">(</span><span class="n">n</span> <span class="o">*</span> <span class="n">dn</span> <span class="o">*</span> <span class="n">eps</span><span class="p">)</span> <span class="o">**</span> <span class="mi">2</span> <span class="o">*</span> <span class="n">new_obs</span> <span class="o">/</span> <span class="p">(</span><span class="n">spatial_extent</span> <span class="o">**</span> <span class="mi">3</span><span class="p">)</span> <span class="o">-</span> <span class="mf">0.3</span>
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|
<span class="n">zero_crossing</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">argmax</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span>
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<span class="p">[</span><span class="n">o</span><span class="o">.</span><span class="n">value</span> <span class="k">for</span> <span class="n">o</span> <span class="ow">in</span> <span class="n">t2E_dict</span><span class="o">.</span><span class="n">values</span><span class="p">()])</span> <span class="o">></span> <span class="mf">0.0</span><span class="p">)</span>
|
|
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|
<span class="n">x</span> <span class="o">=</span> <span class="nb">list</span><span class="p">(</span><span class="n">t2E_dict</span><span class="o">.</span><span class="n">keys</span><span class="p">())[</span><span class="n">zero_crossing</span> <span class="o">-</span> <span class="n">fit_range</span><span class="p">:</span>
|
|
<span class="n">zero_crossing</span> <span class="o">+</span> <span class="n">fit_range</span><span class="p">]</span>
|
|
<span class="n">y</span> <span class="o">=</span> <span class="nb">list</span><span class="p">(</span><span class="n">t2E_dict</span><span class="o">.</span><span class="n">values</span><span class="p">())[</span><span class="n">zero_crossing</span> <span class="o">-</span> <span class="n">fit_range</span><span class="p">:</span>
|
|
<span class="n">zero_crossing</span> <span class="o">+</span> <span class="n">fit_range</span><span class="p">]</span>
|
|
<span class="p">[</span><span class="n">o</span><span class="o">.</span><span class="n">gamma_method</span><span class="p">()</span> <span class="k">for</span> <span class="n">o</span> <span class="ow">in</span> <span class="n">y</span><span class="p">]</span>
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|
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<span class="n">fit_result</span> <span class="o">=</span> <span class="n">fit_lin</span><span class="p">(</span><span class="n">x</span><span class="p">,</span> <span class="n">y</span><span class="p">)</span>
|
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|
<span class="k">if</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'plot_fit'</span><span class="p">):</span>
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|
<span class="n">plt</span><span class="o">.</span><span class="n">figure</span><span class="p">()</span>
|
|
<span class="n">gs</span> <span class="o">=</span> <span class="n">gridspec</span><span class="o">.</span><span class="n">GridSpec</span><span class="p">(</span><span class="mi">2</span><span class="p">,</span> <span class="mi">1</span><span class="p">,</span> <span class="n">height_ratios</span><span class="o">=</span><span class="p">[</span><span class="mi">3</span><span class="p">,</span> <span class="mi">1</span><span class="p">],</span> <span class="n">wspace</span><span class="o">=</span><span class="mf">0.0</span><span class="p">,</span> <span class="n">hspace</span><span class="o">=</span><span class="mf">0.0</span><span class="p">)</span>
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|
<span class="n">ax0</span> <span class="o">=</span> <span class="n">plt</span><span class="o">.</span><span class="n">subplot</span><span class="p">(</span><span class="n">gs</span><span class="p">[</span><span class="mi">0</span><span class="p">])</span>
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<span class="n">xmore</span> <span class="o">=</span> <span class="nb">list</span><span class="p">(</span><span class="n">t2E_dict</span><span class="o">.</span><span class="n">keys</span><span class="p">())[</span><span class="n">zero_crossing</span> <span class="o">-</span> <span class="n">fit_range</span> <span class="o">-</span> <span class="mi">2</span><span class="p">:</span> <span class="n">zero_crossing</span> <span class="o">+</span> <span class="n">fit_range</span> <span class="o">+</span> <span class="mi">2</span><span class="p">]</span>
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|
<span class="n">ymore</span> <span class="o">=</span> <span class="nb">list</span><span class="p">(</span><span class="n">t2E_dict</span><span class="o">.</span><span class="n">values</span><span class="p">())[</span><span class="n">zero_crossing</span> <span class="o">-</span> <span class="n">fit_range</span> <span class="o">-</span> <span class="mi">2</span><span class="p">:</span> <span class="n">zero_crossing</span> <span class="o">+</span> <span class="n">fit_range</span> <span class="o">+</span> <span class="mi">2</span><span class="p">]</span>
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|
<span class="p">[</span><span class="n">o</span><span class="o">.</span><span class="n">gamma_method</span><span class="p">()</span> <span class="k">for</span> <span class="n">o</span> <span class="ow">in</span> <span class="n">ymore</span><span class="p">]</span>
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|
<span class="n">ax0</span><span class="o">.</span><span class="n">errorbar</span><span class="p">(</span><span class="n">xmore</span><span class="p">,</span> <span class="p">[</span><span class="n">yi</span><span class="o">.</span><span class="n">value</span> <span class="k">for</span> <span class="n">yi</span> <span class="ow">in</span> <span class="n">ymore</span><span class="p">],</span> <span class="n">yerr</span><span class="o">=</span><span class="p">[</span><span class="n">yi</span><span class="o">.</span><span class="n">dvalue</span> <span class="k">for</span> <span class="n">yi</span> <span class="ow">in</span> <span class="n">ymore</span><span class="p">],</span> <span class="n">fmt</span><span class="o">=</span><span class="s1">'x'</span><span class="p">)</span>
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<span class="n">xplot</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">linspace</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">min</span><span class="p">(</span><span class="n">x</span><span class="p">),</span> <span class="n">np</span><span class="o">.</span><span class="n">max</span><span class="p">(</span><span class="n">x</span><span class="p">))</span>
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<span class="n">yplot</span> <span class="o">=</span> <span class="p">[</span><span class="n">fit_result</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">+</span> <span class="n">fit_result</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">*</span> <span class="n">xi</span> <span class="k">for</span> <span class="n">xi</span> <span class="ow">in</span> <span class="n">xplot</span><span class="p">]</span>
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|
<span class="p">[</span><span class="n">yi</span><span class="o">.</span><span class="n">gamma_method</span><span class="p">()</span> <span class="k">for</span> <span class="n">yi</span> <span class="ow">in</span> <span class="n">yplot</span><span class="p">]</span>
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<span class="n">ax0</span><span class="o">.</span><span class="n">fill_between</span><span class="p">(</span><span class="n">xplot</span><span class="p">,</span> <span class="n">y1</span><span class="o">=</span><span class="p">[</span><span class="n">yi</span><span class="o">.</span><span class="n">value</span> <span class="o">-</span> <span class="n">yi</span><span class="o">.</span><span class="n">dvalue</span> <span class="k">for</span> <span class="n">yi</span> <span class="ow">in</span> <span class="n">yplot</span><span class="p">],</span> <span class="n">y2</span><span class="o">=</span><span class="p">[</span><span class="n">yi</span><span class="o">.</span><span class="n">value</span> <span class="o">+</span> <span class="n">yi</span><span class="o">.</span><span class="n">dvalue</span> <span class="k">for</span> <span class="n">yi</span> <span class="ow">in</span> <span class="n">yplot</span><span class="p">])</span>
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|
<span class="n">retval</span> <span class="o">=</span> <span class="p">(</span><span class="o">-</span><span class="n">fit_result</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">/</span> <span class="n">fit_result</span><span class="p">[</span><span class="mi">1</span><span class="p">])</span>
|
|
<span class="n">retval</span><span class="o">.</span><span class="n">gamma_method</span><span class="p">()</span>
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|
<span class="n">ylim</span> <span class="o">=</span> <span class="n">ax0</span><span class="o">.</span><span class="n">get_ylim</span><span class="p">()</span>
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|
<span class="n">ax0</span><span class="o">.</span><span class="n">fill_betweenx</span><span class="p">(</span><span class="n">ylim</span><span class="p">,</span> <span class="n">x1</span><span class="o">=</span><span class="n">retval</span><span class="o">.</span><span class="n">value</span> <span class="o">-</span> <span class="n">retval</span><span class="o">.</span><span class="n">dvalue</span><span class="p">,</span> <span class="n">x2</span><span class="o">=</span><span class="n">retval</span><span class="o">.</span><span class="n">value</span> <span class="o">+</span> <span class="n">retval</span><span class="o">.</span><span class="n">dvalue</span><span class="p">,</span> <span class="n">color</span><span class="o">=</span><span class="s1">'gray'</span><span class="p">,</span> <span class="n">alpha</span><span class="o">=</span><span class="mf">0.4</span><span class="p">)</span>
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|
<span class="n">ax0</span><span class="o">.</span><span class="n">set_ylim</span><span class="p">(</span><span class="n">ylim</span><span class="p">)</span>
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|
<span class="n">ax0</span><span class="o">.</span><span class="n">set_ylabel</span><span class="p">(</span><span class="sa">r</span><span class="s1">'$t^2 \langle E(t) \rangle - 0.3 $'</span><span class="p">)</span>
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|
<span class="n">xlim</span> <span class="o">=</span> <span class="n">ax0</span><span class="o">.</span><span class="n">get_xlim</span><span class="p">()</span>
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<span class="n">fit_res</span> <span class="o">=</span> <span class="p">[</span><span class="n">fit_result</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">+</span> <span class="n">fit_result</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">*</span> <span class="n">xi</span> <span class="k">for</span> <span class="n">xi</span> <span class="ow">in</span> <span class="n">x</span><span class="p">]</span>
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|
<span class="n">residuals</span> <span class="o">=</span> <span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">([</span><span class="n">o</span><span class="o">.</span><span class="n">value</span> <span class="k">for</span> <span class="n">o</span> <span class="ow">in</span> <span class="n">y</span><span class="p">])</span> <span class="o">-</span> <span class="p">[</span><span class="n">o</span><span class="o">.</span><span class="n">value</span> <span class="k">for</span> <span class="n">o</span> <span class="ow">in</span> <span class="n">fit_res</span><span class="p">])</span> <span class="o">/</span> <span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">([</span><span class="n">o</span><span class="o">.</span><span class="n">dvalue</span> <span class="k">for</span> <span class="n">o</span> <span class="ow">in</span> <span class="n">y</span><span class="p">])</span>
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|
<span class="n">ax1</span> <span class="o">=</span> <span class="n">plt</span><span class="o">.</span><span class="n">subplot</span><span class="p">(</span><span class="n">gs</span><span class="p">[</span><span class="mi">1</span><span class="p">])</span>
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|
<span class="n">ax1</span><span class="o">.</span><span class="n">plot</span><span class="p">(</span><span class="n">x</span><span class="p">,</span> <span class="n">residuals</span><span class="p">,</span> <span class="s1">'ko'</span><span class="p">,</span> <span class="n">ls</span><span class="o">=</span><span class="s1">'none'</span><span class="p">,</span> <span class="n">markersize</span><span class="o">=</span><span class="mi">5</span><span class="p">)</span>
|
|
<span class="n">ax1</span><span class="o">.</span><span class="n">tick_params</span><span class="p">(</span><span class="n">direction</span><span class="o">=</span><span class="s1">'out'</span><span class="p">)</span>
|
|
<span class="n">ax1</span><span class="o">.</span><span class="n">tick_params</span><span class="p">(</span><span class="n">axis</span><span class="o">=</span><span class="s2">"x"</span><span class="p">,</span> <span class="n">bottom</span><span class="o">=</span><span class="kc">True</span><span class="p">,</span> <span class="n">top</span><span class="o">=</span><span class="kc">True</span><span class="p">,</span> <span class="n">labelbottom</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
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|
<span class="n">ax1</span><span class="o">.</span><span class="n">axhline</span><span class="p">(</span><span class="n">y</span><span class="o">=</span><span class="mf">0.0</span><span class="p">,</span> <span class="n">ls</span><span class="o">=</span><span class="s1">'--'</span><span class="p">,</span> <span class="n">color</span><span class="o">=</span><span class="s1">'k'</span><span class="p">)</span>
|
|
<span class="n">ax1</span><span class="o">.</span><span class="n">fill_between</span><span class="p">(</span><span class="n">xlim</span><span class="p">,</span> <span class="o">-</span><span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="n">alpha</span><span class="o">=</span><span class="mf">0.1</span><span class="p">,</span> <span class="n">facecolor</span><span class="o">=</span><span class="s1">'k'</span><span class="p">)</span>
|
|
<span class="n">ax1</span><span class="o">.</span><span class="n">set_xlim</span><span class="p">(</span><span class="n">xlim</span><span class="p">)</span>
|
|
<span class="n">ax1</span><span class="o">.</span><span class="n">set_ylabel</span><span class="p">(</span><span class="s1">'Residuals'</span><span class="p">)</span>
|
|
<span class="n">ax1</span><span class="o">.</span><span class="n">set_xlabel</span><span class="p">(</span><span class="sa">r</span><span class="s1">'$t/a^2$'</span><span class="p">)</span>
|
|
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|
<span class="n">plt</span><span class="o">.</span><span class="n">show</span><span class="p">()</span>
|
|
<span class="k">return</span> <span class="o">-</span><span class="n">fit_result</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">/</span> <span class="n">fit_result</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span>
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|
|
<span class="k">def</span> <span class="nf">_parse_array_openQCD2</span><span class="p">(</span><span class="n">d</span><span class="p">,</span> <span class="n">n</span><span class="p">,</span> <span class="n">size</span><span class="p">,</span> <span class="n">wa</span><span class="p">,</span> <span class="n">quadrupel</span><span class="o">=</span><span class="kc">False</span><span class="p">):</span>
|
|
<span class="n">arr</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">if</span> <span class="n">d</span> <span class="o">==</span> <span class="mi">2</span><span class="p">:</span>
|
|
<span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">n</span><span class="p">[</span><span class="mi">0</span><span class="p">]):</span>
|
|
<span class="n">tmp</span> <span class="o">=</span> <span class="n">wa</span><span class="p">[</span><span class="n">i</span> <span class="o">*</span> <span class="n">n</span><span class="p">[</span><span class="mi">1</span><span class="p">]:(</span><span class="n">i</span> <span class="o">+</span> <span class="mi">1</span><span class="p">)</span> <span class="o">*</span> <span class="n">n</span><span class="p">[</span><span class="mi">1</span><span class="p">]]</span>
|
|
<span class="k">if</span> <span class="n">quadrupel</span><span class="p">:</span>
|
|
<span class="n">tmp2</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="n">j</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="mi">0</span><span class="p">,</span> <span class="nb">len</span><span class="p">(</span><span class="n">tmp</span><span class="p">),</span> <span class="mi">2</span><span class="p">):</span>
|
|
<span class="n">tmp2</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">tmp</span><span class="p">[</span><span class="n">j</span><span class="p">])</span>
|
|
<span class="n">arr</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">tmp2</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">arr</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">tmp</span><span class="p">))</span>
|
|
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Only two-dimensional arrays supported!'</span><span class="p">)</span>
|
|
|
|
<span class="k">return</span> <span class="n">arr</span>
|
|
|
|
|
|
<span class="k">def</span> <span class="nf">_read_array_openQCD2</span><span class="p">(</span><span class="n">fp</span><span class="p">):</span>
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">4</span><span class="p">)</span>
|
|
<span class="n">d</span> <span class="o">=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'i'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span>
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">4</span> <span class="o">*</span> <span class="n">d</span><span class="p">)</span>
|
|
<span class="n">n</span> <span class="o">=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'</span><span class="si">%d</span><span class="s1">i'</span> <span class="o">%</span> <span class="p">(</span><span class="n">d</span><span class="p">),</span> <span class="n">t</span><span class="p">)</span>
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">4</span><span class="p">)</span>
|
|
<span class="n">size</span> <span class="o">=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'i'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span>
|
|
<span class="k">if</span> <span class="n">size</span> <span class="o">==</span> <span class="mi">4</span><span class="p">:</span>
|
|
<span class="n">types</span> <span class="o">=</span> <span class="s1">'i'</span>
|
|
<span class="k">elif</span> <span class="n">size</span> <span class="o">==</span> <span class="mi">8</span><span class="p">:</span>
|
|
<span class="n">types</span> <span class="o">=</span> <span class="s1">'d'</span>
|
|
<span class="k">elif</span> <span class="n">size</span> <span class="o">==</span> <span class="mi">16</span><span class="p">:</span>
|
|
<span class="n">types</span> <span class="o">=</span> <span class="s1">'dd'</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'Type not known!'</span><span class="p">)</span>
|
|
<span class="n">m</span> <span class="o">=</span> <span class="n">n</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span>
|
|
<span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="mi">1</span><span class="p">,</span> <span class="n">d</span><span class="p">):</span>
|
|
<span class="n">m</span> <span class="o">*=</span> <span class="n">n</span><span class="p">[</span><span class="n">i</span><span class="p">]</span>
|
|
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="n">m</span> <span class="o">*</span> <span class="n">size</span><span class="p">)</span>
|
|
<span class="n">tmp</span> <span class="o">=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'</span><span class="si">%d%s</span><span class="s1">'</span> <span class="o">%</span> <span class="p">(</span><span class="n">m</span><span class="p">,</span> <span class="n">types</span><span class="p">),</span> <span class="n">t</span><span class="p">)</span>
|
|
|
|
<span class="n">arr</span> <span class="o">=</span> <span class="n">_parse_array_openQCD2</span><span class="p">(</span><span class="n">d</span><span class="p">,</span> <span class="n">n</span><span class="p">,</span> <span class="n">size</span><span class="p">,</span> <span class="n">tmp</span><span class="p">,</span> <span class="n">quadrupel</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
|
|
<span class="k">return</span> <span class="p">{</span><span class="s1">'d'</span><span class="p">:</span> <span class="n">d</span><span class="p">,</span> <span class="s1">'n'</span><span class="p">:</span> <span class="n">n</span><span class="p">,</span> <span class="s1">'size'</span><span class="p">:</span> <span class="n">size</span><span class="p">,</span> <span class="s1">'arr'</span><span class="p">:</span> <span class="n">arr</span><span class="p">}</span>
|
|
|
|
|
|
<span class="k">def</span> <span class="nf">read_qtop</span><span class="p">(</span><span class="n">path</span><span class="p">,</span> <span class="n">prefix</span><span class="p">,</span> <span class="n">c</span><span class="p">,</span> <span class="n">dtr_cnfg</span><span class="o">=</span><span class="mi">1</span><span class="p">,</span> <span class="n">version</span><span class="o">=</span><span class="s2">"openQCD"</span><span class="p">,</span> <span class="o">**</span><span class="n">kwargs</span><span class="p">):</span>
|
|
<span class="sd">"""Read the topologial charge based on openQCD gradient flow measurements.</span>
|
|
|
|
<span class="sd"> Parameters</span>
|
|
<span class="sd"> ----------</span>
|
|
<span class="sd"> path : str</span>
|
|
<span class="sd"> path of the measurement files</span>
|
|
<span class="sd"> prefix : str</span>
|
|
<span class="sd"> prefix of the measurement files, e.g. <prefix>_id0_r0.ms.dat.</span>
|
|
<span class="sd"> Ignored if file names are passed explicitly via keyword files.</span>
|
|
<span class="sd"> c : double</span>
|
|
<span class="sd"> Smearing radius in units of the lattice extent, c = sqrt(8 t0) / L.</span>
|
|
<span class="sd"> dtr_cnfg : int</span>
|
|
<span class="sd"> (optional) parameter that specifies the number of measurements</span>
|
|
<span class="sd"> between two configs.</span>
|
|
<span class="sd"> If it is not set, the distance between two measurements</span>
|
|
<span class="sd"> in the file is assumed to be the distance between two configurations.</span>
|
|
<span class="sd"> steps : int</span>
|
|
<span class="sd"> (optional) Distance between two configurations in units of trajectories /</span>
|
|
<span class="sd"> cycles. Assumed to be the distance between two measurements * dtr_cnfg if not given</span>
|
|
<span class="sd"> version : str</span>
|
|
<span class="sd"> Either openQCD or sfqcd, depending on the data.</span>
|
|
<span class="sd"> L : int</span>
|
|
<span class="sd"> spatial length of the lattice in L/a.</span>
|
|
<span class="sd"> HAS to be set if version != sfqcd, since openQCD does not provide</span>
|
|
<span class="sd"> this in the header</span>
|
|
<span class="sd"> r_start : list</span>
|
|
<span class="sd"> list which contains the first config to be read for each replicum.</span>
|
|
<span class="sd"> r_stop : list</span>
|
|
<span class="sd"> list which contains the last config to be read for each replicum.</span>
|
|
<span class="sd"> files : list</span>
|
|
<span class="sd"> specify the exact files that need to be read</span>
|
|
<span class="sd"> from path, practical if e.g. only one replicum is needed</span>
|
|
<span class="sd"> names : list</span>
|
|
<span class="sd"> Alternative labeling for replicas/ensembles.</span>
|
|
<span class="sd"> Has to have the appropriate length.</span>
|
|
<span class="sd"> Zeuthen_flow : bool</span>
|
|
<span class="sd"> (optional) If True, the Zeuthen flow is used for Qtop. Only possible</span>
|
|
<span class="sd"> for version=='sfqcd' If False, the Wilson flow is used.</span>
|
|
<span class="sd"> integer_charge : bool</span>
|
|
<span class="sd"> If True, the charge is rounded towards the nearest integer on each config.</span>
|
|
<span class="sd"> """</span>
|
|
<span class="n">known_versions</span> <span class="o">=</span> <span class="p">[</span><span class="s2">"openQCD"</span><span class="p">,</span> <span class="s2">"sfqcd"</span><span class="p">]</span>
|
|
|
|
<span class="k">if</span> <span class="n">version</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">known_versions</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"Unknown openQCD version."</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="s2">"steps"</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">steps</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"steps"</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="n">version</span> <span class="o">==</span> <span class="s2">"sfqcd"</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="s2">"L"</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">supposed_L</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"L"</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">supposed_L</span> <span class="o">=</span> <span class="kc">None</span>
|
|
<span class="n">postfix</span> <span class="o">=</span> <span class="s2">".gfms.dat"</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="s2">"L"</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"This version of openQCD needs you to provide the spatial length of the lattice as parameter 'L'."</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">L</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"L"</span><span class="p">)</span>
|
|
<span class="n">postfix</span> <span class="o">=</span> <span class="s2">".ms.dat"</span>
|
|
|
|
<span class="k">if</span> <span class="s2">"files"</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">files</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"files"</span><span class="p">)</span>
|
|
<span class="n">postfix</span> <span class="o">=</span> <span class="s1">''</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">found</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="n">files</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="p">(</span><span class="n">dirpath</span><span class="p">,</span> <span class="n">dirnames</span><span class="p">,</span> <span class="n">filenames</span><span class="p">)</span> <span class="ow">in</span> <span class="n">os</span><span class="o">.</span><span class="n">walk</span><span class="p">(</span><span class="n">path</span> <span class="o">+</span> <span class="s2">"/"</span><span class="p">):</span>
|
|
<span class="n">found</span><span class="o">.</span><span class="n">extend</span><span class="p">(</span><span class="n">filenames</span><span class="p">)</span>
|
|
<span class="k">break</span>
|
|
<span class="k">for</span> <span class="n">f</span> <span class="ow">in</span> <span class="n">found</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="n">fnmatch</span><span class="o">.</span><span class="n">fnmatch</span><span class="p">(</span><span class="n">f</span><span class="p">,</span> <span class="n">prefix</span> <span class="o">+</span> <span class="s2">"*"</span> <span class="o">+</span> <span class="n">postfix</span><span class="p">):</span>
|
|
<span class="n">files</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">f</span><span class="p">)</span>
|
|
|
|
<span class="k">if</span> <span class="s1">'r_start'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">r_start</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'r_start'</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">r_start</span><span class="p">)</span> <span class="o">!=</span> <span class="nb">len</span><span class="p">(</span><span class="n">files</span><span class="p">):</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'r_start does not match number of replicas'</span><span class="p">)</span>
|
|
<span class="n">r_start</span> <span class="o">=</span> <span class="p">[</span><span class="n">o</span> <span class="k">if</span> <span class="n">o</span> <span class="k">else</span> <span class="kc">None</span> <span class="k">for</span> <span class="n">o</span> <span class="ow">in</span> <span class="n">r_start</span><span class="p">]</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">r_start</span> <span class="o">=</span> <span class="p">[</span><span class="kc">None</span><span class="p">]</span> <span class="o">*</span> <span class="nb">len</span><span class="p">(</span><span class="n">files</span><span class="p">)</span>
|
|
|
|
<span class="k">if</span> <span class="s1">'r_stop'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">r_stop</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'r_stop'</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">r_stop</span><span class="p">)</span> <span class="o">!=</span> <span class="nb">len</span><span class="p">(</span><span class="n">files</span><span class="p">):</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'r_stop does not match number of replicas'</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">r_stop</span> <span class="o">=</span> <span class="p">[</span><span class="kc">None</span><span class="p">]</span> <span class="o">*</span> <span class="nb">len</span><span class="p">(</span><span class="n">files</span><span class="p">)</span>
|
|
<span class="n">rep_names</span> <span class="o">=</span> <span class="p">[]</span>
|
|
|
|
<span class="n">zeuthen</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'Zeuthen_flow'</span><span class="p">,</span> <span class="kc">False</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="n">zeuthen</span> <span class="ow">and</span> <span class="n">version</span> <span class="ow">not</span> <span class="ow">in</span> <span class="p">[</span><span class="s1">'sfqcd'</span><span class="p">]:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Zeuthen flow can only be used for version==sfqcd'</span><span class="p">)</span>
|
|
|
|
<span class="n">r_start_index</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="n">r_stop_index</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="n">deltas</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="n">configlist</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="n">rep</span><span class="p">,</span> <span class="n">file</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">files</span><span class="p">):</span>
|
|
<span class="k">with</span> <span class="nb">open</span><span class="p">(</span><span class="n">path</span> <span class="o">+</span> <span class="s2">"/"</span> <span class="o">+</span> <span class="n">file</span><span class="p">,</span> <span class="s2">"rb"</span><span class="p">)</span> <span class="k">as</span> <span class="n">fp</span><span class="p">:</span>
|
|
|
|
<span class="n">Q</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="n">traj_list</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">if</span> <span class="n">version</span> <span class="ow">in</span> <span class="p">[</span><span class="s1">'sfqcd'</span><span class="p">]:</span>
|
|
<span class="k">if</span> <span class="n">zeuthen</span><span class="p">:</span>
|
|
<span class="n">obspos</span> <span class="o">=</span> <span class="mi">0</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">obspos</span> <span class="o">=</span> <span class="mi">8</span>
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">12</span><span class="p">)</span>
|
|
<span class="n">header</span> <span class="o">=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'<iii'</span><span class="p">,</span> <span class="n">t</span><span class="p">)</span>
|
|
<span class="n">zthfl</span> <span class="o">=</span> <span class="n">header</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="c1"># Zeuthen flow -> if it's equal to 2 it means that the Zeuthen flow is also 'measured' (apart from the Wilson flow)</span>
|
|
<span class="n">ncs</span> <span class="o">=</span> <span class="n">header</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="c1"># number of different values for c in t_flow=1/8 c² L² -> measurements done for ncs c's</span>
|
|
<span class="n">tmax</span> <span class="o">=</span> <span class="n">header</span><span class="p">[</span><span class="mi">2</span><span class="p">]</span> <span class="c1"># lattice T/a</span>
|
|
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">12</span><span class="p">)</span>
|
|
<span class="n">Ls</span> <span class="o">=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'<iii'</span><span class="p">,</span> <span class="n">t</span><span class="p">)</span>
|
|
<span class="k">if</span><span class="p">(</span><span class="n">Ls</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">==</span> <span class="n">Ls</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="ow">and</span> <span class="n">Ls</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">==</span> <span class="n">Ls</span><span class="p">[</span><span class="mi">2</span><span class="p">]):</span>
|
|
<span class="n">L</span> <span class="o">=</span> <span class="n">Ls</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span>
|
|
<span class="k">if</span> <span class="ow">not</span> <span class="p">(</span><span class="n">supposed_L</span> <span class="o">==</span> <span class="n">L</span><span class="p">)</span> <span class="ow">and</span> <span class="n">supposed_L</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"It seems the length given in the header and by you contradict each other"</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"Found more than one spatial length in header!"</span><span class="p">)</span>
|
|
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">16</span><span class="p">)</span>
|
|
<span class="n">header2</span> <span class="o">=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'<dd'</span><span class="p">,</span> <span class="n">t</span><span class="p">)</span>
|
|
<span class="n">tol</span> <span class="o">=</span> <span class="n">header2</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span>
|
|
<span class="n">cmax</span> <span class="o">=</span> <span class="n">header2</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="c1"># highest value of c used</span>
|
|
|
|
<span class="k">if</span> <span class="n">c</span> <span class="o">></span> <span class="n">cmax</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Flow has been determined between c=0 and c=</span><span class="si">%lf</span><span class="s1"> with tolerance </span><span class="si">%lf</span><span class="s1">'</span> <span class="o">%</span> <span class="p">(</span><span class="n">cmax</span><span class="p">,</span> <span class="n">tol</span><span class="p">))</span>
|
|
|
|
<span class="k">if</span><span class="p">(</span><span class="n">zthfl</span> <span class="o">==</span> <span class="mi">2</span><span class="p">):</span>
|
|
<span class="n">nfl</span> <span class="o">=</span> <span class="mi">2</span> <span class="c1"># number of flows</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">nfl</span> <span class="o">=</span> <span class="mi">1</span>
|
|
<span class="n">iobs</span> <span class="o">=</span> <span class="mi">8</span> <span class="o">*</span> <span class="n">nfl</span> <span class="c1"># number of flow observables calculated</span>
|
|
|
|
<span class="k">while</span> <span class="mi">0</span> <span class="o"><</span> <span class="mi">1</span><span class="p">:</span>
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">4</span><span class="p">)</span>
|
|
<span class="k">if</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">t</span><span class="p">)</span> <span class="o"><</span> <span class="mi">4</span><span class="p">):</span>
|
|
<span class="k">break</span>
|
|
<span class="n">traj_list</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'i'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">])</span> <span class="c1"># trajectory number when measurement was done</span>
|
|
|
|
<span class="k">for</span> <span class="n">j</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">ncs</span> <span class="o">+</span> <span class="mi">1</span><span class="p">):</span>
|
|
<span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">iobs</span><span class="p">):</span>
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">8</span> <span class="o">*</span> <span class="n">tmax</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="p">(</span><span class="n">i</span> <span class="o">==</span> <span class="n">obspos</span><span class="p">):</span> <span class="c1"># determines the flow observable -> i=0 <-> Zeuthen flow</span>
|
|
<span class="n">Q</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'d'</span> <span class="o">*</span> <span class="n">tmax</span><span class="p">,</span> <span class="n">t</span><span class="p">))</span>
|
|
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">12</span><span class="p">)</span>
|
|
<span class="n">header</span> <span class="o">=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'<iii'</span><span class="p">,</span> <span class="n">t</span><span class="p">)</span>
|
|
<span class="c1"># step size in integration steps "dnms"</span>
|
|
<span class="n">dn</span> <span class="o">=</span> <span class="n">header</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span>
|
|
<span class="c1"># number of measurements, so "ntot"/dn</span>
|
|
<span class="n">nn</span> <span class="o">=</span> <span class="n">header</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span>
|
|
<span class="c1"># lattice T/a</span>
|
|
<span class="n">tmax</span> <span class="o">=</span> <span class="n">header</span><span class="p">[</span><span class="mi">2</span><span class="p">]</span>
|
|
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">8</span><span class="p">)</span>
|
|
<span class="n">eps</span> <span class="o">=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'d'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span>
|
|
|
|
<span class="k">while</span> <span class="mi">0</span> <span class="o"><</span> <span class="mi">1</span><span class="p">:</span>
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">4</span><span class="p">)</span>
|
|
<span class="k">if</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">t</span><span class="p">)</span> <span class="o"><</span> <span class="mi">4</span><span class="p">):</span>
|
|
<span class="k">break</span>
|
|
<span class="n">traj_list</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'i'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">])</span>
|
|
<span class="c1"># Wsl</span>
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">8</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">))</span>
|
|
<span class="c1"># Ysl</span>
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">8</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">))</span>
|
|
<span class="c1"># Qsl, which is asked for in this method</span>
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">8</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">))</span>
|
|
<span class="c1"># unpack the array of Qtops,</span>
|
|
<span class="c1"># on each timeslice t=0,...,tmax-1 and the</span>
|
|
<span class="c1"># measurement number in = 0...nn (see README.qcd1)</span>
|
|
<span class="n">tmpd</span> <span class="o">=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'d'</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">),</span> <span class="n">t</span><span class="p">)</span>
|
|
<span class="n">Q</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">tmpd</span><span class="p">)</span>
|
|
|
|
<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">unique</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">diff</span><span class="p">(</span><span class="n">traj_list</span><span class="p">)))</span> <span class="o">!=</span> <span class="mi">1</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"Irregularities in stepsize found"</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="s1">'steps'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="n">steps</span> <span class="o">!=</span> <span class="n">traj_list</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">-</span> <span class="n">traj_list</span><span class="p">[</span><span class="mi">0</span><span class="p">]:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"steps and the found stepsize are not the same"</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">steps</span> <span class="o">=</span> <span class="n">traj_list</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">-</span> <span class="n">traj_list</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span>
|
|
|
|
<span class="n">configlist</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="n">tr</span> <span class="o">//</span> <span class="n">steps</span> <span class="o">//</span> <span class="n">dtr_cnfg</span> <span class="k">for</span> <span class="n">tr</span> <span class="ow">in</span> <span class="n">traj_list</span><span class="p">])</span>
|
|
<span class="k">if</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">></span> <span class="mi">1</span><span class="p">:</span>
|
|
<span class="n">offset</span> <span class="o">=</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">-</span> <span class="mi">1</span>
|
|
<span class="n">warnings</span><span class="o">.</span><span class="n">warn</span><span class="p">(</span><span class="s1">'Assume thermalization and that the first measurement belongs to the first config. Offset = </span><span class="si">%d</span><span class="s1"> configs (</span><span class="si">%d</span><span class="s1"> trajectories / cycles)'</span> <span class="o">%</span> <span class="p">(</span>
|
|
<span class="n">offset</span><span class="p">,</span> <span class="n">offset</span> <span class="o">*</span> <span class="n">steps</span><span class="p">))</span>
|
|
<span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="n">item</span> <span class="o">-</span> <span class="n">offset</span> <span class="k">for</span> <span class="n">item</span> <span class="ow">in</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]]</span>
|
|
|
|
<span class="k">if</span> <span class="n">r_start</span><span class="p">[</span><span class="n">rep</span><span class="p">]</span> <span class="ow">is</span> <span class="kc">None</span><span class="p">:</span>
|
|
<span class="n">r_start_index</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="mi">0</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">try</span><span class="p">:</span>
|
|
<span class="n">r_start_index</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="n">r_start</span><span class="p">[</span><span class="n">rep</span><span class="p">]))</span>
|
|
<span class="k">except</span> <span class="ne">ValueError</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Config </span><span class="si">%d</span><span class="s1"> not in file with range [</span><span class="si">%d</span><span class="s1">, </span><span class="si">%d</span><span class="s1">]'</span> <span class="o">%</span> <span class="p">(</span>
|
|
<span class="n">r_start</span><span class="p">[</span><span class="n">rep</span><span class="p">],</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">],</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="o">-</span><span class="mi">1</span><span class="p">]))</span> <span class="kn">from</span> <span class="bp">None</span>
|
|
|
|
<span class="k">if</span> <span class="n">r_stop</span><span class="p">[</span><span class="n">rep</span><span class="p">]</span> <span class="ow">is</span> <span class="kc">None</span><span class="p">:</span>
|
|
<span class="n">r_stop_index</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">])</span> <span class="o">-</span> <span class="mi">1</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">try</span><span class="p">:</span>
|
|
<span class="n">r_stop_index</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="n">r_stop</span><span class="p">[</span><span class="n">rep</span><span class="p">]))</span>
|
|
<span class="k">except</span> <span class="ne">ValueError</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Config </span><span class="si">%d</span><span class="s1"> not in file with range [</span><span class="si">%d</span><span class="s1">, </span><span class="si">%d</span><span class="s1">]'</span> <span class="o">%</span> <span class="p">(</span>
|
|
<span class="n">r_stop</span><span class="p">[</span><span class="n">rep</span><span class="p">],</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">],</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="o">-</span><span class="mi">1</span><span class="p">]))</span> <span class="kn">from</span> <span class="bp">None</span>
|
|
|
|
<span class="k">if</span> <span class="n">version</span> <span class="ow">in</span> <span class="p">[</span><span class="s1">'sfqcd'</span><span class="p">]:</span>
|
|
<span class="n">cstepsize</span> <span class="o">=</span> <span class="n">cmax</span> <span class="o">/</span> <span class="n">ncs</span>
|
|
<span class="n">index_aim</span> <span class="o">=</span> <span class="nb">round</span><span class="p">(</span><span class="n">c</span> <span class="o">/</span> <span class="n">cstepsize</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">t_aim</span> <span class="o">=</span> <span class="p">(</span><span class="n">c</span> <span class="o">*</span> <span class="n">L</span><span class="p">)</span> <span class="o">**</span> <span class="mi">2</span> <span class="o">/</span> <span class="mi">8</span>
|
|
<span class="n">index_aim</span> <span class="o">=</span> <span class="nb">round</span><span class="p">(</span><span class="n">t_aim</span> <span class="o">/</span> <span class="n">eps</span> <span class="o">/</span> <span class="n">dn</span><span class="p">)</span>
|
|
|
|
<span class="n">Q_sum</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="n">i</span><span class="p">,</span> <span class="n">item</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">Q</span><span class="p">):</span>
|
|
<span class="n">Q_sum</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="nb">sum</span><span class="p">(</span><span class="n">item</span><span class="p">[</span><span class="n">current</span><span class="p">:</span><span class="n">current</span> <span class="o">+</span> <span class="n">tmax</span><span class="p">])</span>
|
|
<span class="k">for</span> <span class="n">current</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="mi">0</span><span class="p">,</span> <span class="nb">len</span><span class="p">(</span><span class="n">item</span><span class="p">),</span> <span class="n">tmax</span><span class="p">)])</span>
|
|
<span class="n">Q_top</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">if</span> <span class="n">version</span> <span class="ow">in</span> <span class="p">[</span><span class="s1">'sfqcd'</span><span class="p">]:</span>
|
|
<span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">Q_sum</span><span class="p">)</span> <span class="o">//</span> <span class="p">(</span><span class="n">ncs</span> <span class="o">+</span> <span class="mi">1</span><span class="p">)):</span>
|
|
<span class="n">Q_top</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">Q_sum</span><span class="p">[</span><span class="n">i</span> <span class="o">*</span> <span class="p">(</span><span class="n">ncs</span> <span class="o">+</span> <span class="mi">1</span><span class="p">)</span> <span class="o">+</span> <span class="n">index_aim</span><span class="p">][</span><span class="mi">0</span><span class="p">])</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">Q</span><span class="p">)</span> <span class="o">//</span> <span class="n">dtr_cnfg</span><span class="p">):</span>
|
|
<span class="n">Q_top</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">Q_sum</span><span class="p">[</span><span class="n">dtr_cnfg</span> <span class="o">*</span> <span class="n">i</span><span class="p">][</span><span class="n">index_aim</span><span class="p">])</span>
|
|
<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">Q_top</span><span class="p">)</span> <span class="o">!=</span> <span class="nb">len</span><span class="p">(</span><span class="n">traj_list</span><span class="p">)</span> <span class="o">//</span> <span class="n">dtr_cnfg</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"qtops and traj_list dont have the same length"</span><span class="p">)</span>
|
|
|
|
<span class="k">if</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'integer_charge'</span><span class="p">,</span> <span class="kc">False</span><span class="p">):</span>
|
|
<span class="n">Q_top</span> <span class="o">=</span> <span class="p">[</span><span class="nb">round</span><span class="p">(</span><span class="n">q</span><span class="p">)</span> <span class="k">for</span> <span class="n">q</span> <span class="ow">in</span> <span class="n">Q_top</span><span class="p">]</span>
|
|
|
|
<span class="n">truncated_file</span> <span class="o">=</span> <span class="n">file</span><span class="p">[:</span><span class="o">-</span><span class="nb">len</span><span class="p">(</span><span class="n">postfix</span><span class="p">)]</span>
|
|
|
|
<span class="k">if</span> <span class="s2">"names"</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="k">try</span><span class="p">:</span>
|
|
<span class="n">idx</span> <span class="o">=</span> <span class="n">truncated_file</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="s1">'r'</span><span class="p">)</span>
|
|
<span class="k">except</span> <span class="ne">Exception</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="s2">"names"</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"Automatic recognition of replicum failed, please enter the key word 'names'."</span><span class="p">)</span>
|
|
<span class="n">ens_name</span> <span class="o">=</span> <span class="n">truncated_file</span><span class="p">[:</span><span class="n">idx</span><span class="p">]</span>
|
|
<span class="n">rep_names</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">ens_name</span> <span class="o">+</span> <span class="s1">'|'</span> <span class="o">+</span> <span class="n">truncated_file</span><span class="p">[</span><span class="n">idx</span><span class="p">:])</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">names</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"names"</span><span class="p">)</span>
|
|
<span class="n">rep_names</span> <span class="o">=</span> <span class="n">names</span>
|
|
<span class="n">deltas</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">Q_top</span><span class="p">)</span>
|
|
|
|
<span class="n">idl</span> <span class="o">=</span> <span class="p">[</span><span class="nb">range</span><span class="p">(</span><span class="nb">int</span><span class="p">(</span><span class="n">configlist</span><span class="p">[</span><span class="n">rep</span><span class="p">][</span><span class="n">r_start_index</span><span class="p">[</span><span class="n">rep</span><span class="p">]]),</span> <span class="nb">int</span><span class="p">(</span><span class="n">configlist</span><span class="p">[</span><span class="n">rep</span><span class="p">][</span><span class="n">r_stop_index</span><span class="p">[</span><span class="n">rep</span><span class="p">]])</span> <span class="o">+</span> <span class="mi">1</span><span class="p">,</span> <span class="mi">1</span><span class="p">)</span> <span class="k">for</span> <span class="n">rep</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">deltas</span><span class="p">))]</span>
|
|
<span class="n">deltas</span> <span class="o">=</span> <span class="p">[</span><span class="n">deltas</span><span class="p">[</span><span class="n">nrep</span><span class="p">][</span><span class="n">r_start_index</span><span class="p">[</span><span class="n">nrep</span><span class="p">]:</span><span class="n">r_stop_index</span><span class="p">[</span><span class="n">nrep</span><span class="p">]</span> <span class="o">+</span> <span class="mi">1</span><span class="p">]</span> <span class="k">for</span> <span class="n">nrep</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">deltas</span><span class="p">))]</span>
|
|
<span class="n">result</span> <span class="o">=</span> <span class="n">Obs</span><span class="p">(</span><span class="n">deltas</span><span class="p">,</span> <span class="n">rep_names</span><span class="p">,</span> <span class="n">idl</span><span class="o">=</span><span class="n">idl</span><span class="p">)</span>
|
|
<span class="k">return</span> <span class="n">result</span>
|
|
|
|
|
|
<span class="k">def</span> <span class="nf">qtop_projection</span><span class="p">(</span><span class="n">qtop</span><span class="p">,</span> <span class="n">target</span><span class="o">=</span><span class="mi">0</span><span class="p">):</span>
|
|
<span class="sd">"""Returns the projection to the topological charge sector defined by target.</span>
|
|
|
|
<span class="sd"> Parameters</span>
|
|
<span class="sd"> ----------</span>
|
|
<span class="sd"> path : Obs</span>
|
|
<span class="sd"> Topological charge, rounded to nearest integer on each config.</span>
|
|
<span class="sd"> target : int</span>
|
|
<span class="sd"> Specifies the topological sector to be reweighted to (default 0)</span>
|
|
<span class="sd"> """</span>
|
|
<span class="k">if</span> <span class="n">qtop</span><span class="o">.</span><span class="n">reweighted</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'You can not use a reweighted observable for reweighting!'</span><span class="p">)</span>
|
|
|
|
<span class="n">proj_qtop</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="n">n</span> <span class="ow">in</span> <span class="n">qtop</span><span class="o">.</span><span class="n">deltas</span><span class="p">:</span>
|
|
<span class="n">proj_qtop</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">([</span><span class="mi">1</span> <span class="k">if</span> <span class="nb">int</span><span class="p">(</span><span class="n">qtop</span><span class="o">.</span><span class="n">value</span> <span class="o">+</span> <span class="n">q</span><span class="p">)</span> <span class="o">==</span> <span class="n">target</span> <span class="k">else</span> <span class="mi">0</span> <span class="k">for</span> <span class="n">q</span> <span class="ow">in</span> <span class="n">qtop</span><span class="o">.</span><span class="n">deltas</span><span class="p">[</span><span class="n">n</span><span class="p">]]))</span>
|
|
|
|
<span class="n">reto</span> <span class="o">=</span> <span class="n">Obs</span><span class="p">(</span><span class="n">proj_qtop</span><span class="p">,</span> <span class="n">qtop</span><span class="o">.</span><span class="n">names</span><span class="p">,</span> <span class="n">idl</span><span class="o">=</span><span class="p">[</span><span class="n">qtop</span><span class="o">.</span><span class="n">idl</span><span class="p">[</span><span class="n">name</span><span class="p">]</span> <span class="k">for</span> <span class="n">name</span> <span class="ow">in</span> <span class="n">qtop</span><span class="o">.</span><span class="n">names</span><span class="p">])</span>
|
|
<span class="n">reto</span><span class="o">.</span><span class="n">is_merged</span> <span class="o">=</span> <span class="n">qtop</span><span class="o">.</span><span class="n">is_merged</span>
|
|
<span class="k">return</span> <span class="n">reto</span>
|
|
|
|
|
|
<span class="k">def</span> <span class="nf">read_qtop_sector</span><span class="p">(</span><span class="n">path</span><span class="p">,</span> <span class="n">prefix</span><span class="p">,</span> <span class="n">c</span><span class="p">,</span> <span class="n">target</span><span class="o">=</span><span class="mi">0</span><span class="p">,</span> <span class="o">**</span><span class="n">kwargs</span><span class="p">):</span>
|
|
<span class="sd">"""Constructs reweighting factors to a specified topological sector.</span>
|
|
|
|
<span class="sd"> Parameters</span>
|
|
<span class="sd"> ----------</span>
|
|
<span class="sd"> path : str</span>
|
|
<span class="sd"> path of the measurement files</span>
|
|
<span class="sd"> prefix : str</span>
|
|
<span class="sd"> prefix of the measurement files, e.g. <prefix>_id0_r0.ms.dat</span>
|
|
<span class="sd"> c : double</span>
|
|
<span class="sd"> Smearing radius in units of the lattice extent, c = sqrt(8 t0) / L</span>
|
|
<span class="sd"> target : int</span>
|
|
<span class="sd"> Specifies the topological sector to be reweighted to (default 0)</span>
|
|
<span class="sd"> dtr_cnfg : int</span>
|
|
<span class="sd"> (optional) parameter that specifies the number of trajectories</span>
|
|
<span class="sd"> between two configs.</span>
|
|
<span class="sd"> if it is not set, the distance between two measurements</span>
|
|
<span class="sd"> in the file is assumed to be the distance between two configurations.</span>
|
|
<span class="sd"> steps : int</span>
|
|
<span class="sd"> (optional) Distance between two configurations in units of trajectories /</span>
|
|
<span class="sd"> cycles. Assumed to be the distance between two measurements * dtr_cnfg if not given</span>
|
|
<span class="sd"> version : str</span>
|
|
<span class="sd"> version string of the openQCD (sfqcd) version used to create</span>
|
|
<span class="sd"> the ensemble. Default is 2.0. May also be set to sfqcd.</span>
|
|
<span class="sd"> L : int</span>
|
|
<span class="sd"> spatial length of the lattice in L/a.</span>
|
|
<span class="sd"> HAS to be set if version != sfqcd, since openQCD does not provide</span>
|
|
<span class="sd"> this in the header</span>
|
|
<span class="sd"> r_start : list</span>
|
|
<span class="sd"> offset of the first ensemble, making it easier to match</span>
|
|
<span class="sd"> later on with other Obs</span>
|
|
<span class="sd"> r_stop : list</span>
|
|
<span class="sd"> last configurations that need to be read (per replicum)</span>
|
|
<span class="sd"> files : list</span>
|
|
<span class="sd"> specify the exact files that need to be read</span>
|
|
<span class="sd"> from path, practical if e.g. only one replicum is needed</span>
|
|
<span class="sd"> names : list</span>
|
|
<span class="sd"> Alternative labeling for replicas/ensembles.</span>
|
|
<span class="sd"> Has to have the appropriate length</span>
|
|
<span class="sd"> Zeuthen_flow : bool</span>
|
|
<span class="sd"> (optional) If True, the Zeuthen flow is used for Qtop. Only possible</span>
|
|
<span class="sd"> for version=='sfqcd' If False, the Wilson flow is used.</span>
|
|
<span class="sd"> """</span>
|
|
|
|
<span class="k">if</span> <span class="ow">not</span> <span class="nb">isinstance</span><span class="p">(</span><span class="n">target</span><span class="p">,</span> <span class="nb">int</span><span class="p">):</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"'target' has to be an integer."</span><span class="p">)</span>
|
|
|
|
<span class="n">kwargs</span><span class="p">[</span><span class="s1">'integer_charge'</span><span class="p">]</span> <span class="o">=</span> <span class="kc">True</span>
|
|
<span class="n">qtop</span> <span class="o">=</span> <span class="n">read_qtop</span><span class="p">(</span><span class="n">path</span><span class="p">,</span> <span class="n">prefix</span><span class="p">,</span> <span class="n">c</span><span class="p">,</span> <span class="o">**</span><span class="n">kwargs</span><span class="p">)</span>
|
|
|
|
<span class="k">return</span> <span class="n">qtop_projection</span><span class="p">(</span><span class="n">qtop</span><span class="p">,</span> <span class="n">target</span><span class="o">=</span><span class="n">target</span><span class="p">)</span>
|
|
</pre></div>
|
|
|
|
</details>
|
|
|
|
</section>
|
|
<section id="read_rwms">
|
|
<div class="attr function"><a class="headerlink" href="#read_rwms">#  </a>
|
|
|
|
|
|
<span class="def">def</span>
|
|
<span class="name">read_rwms</span><span class="signature">(path, prefix, version='2.0', names=None, **kwargs)</span>:
|
|
</div>
|
|
|
|
<details>
|
|
<summary>View Source</summary>
|
|
<div class="codehilite"><pre><span></span><span class="k">def</span> <span class="nf">read_rwms</span><span class="p">(</span><span class="n">path</span><span class="p">,</span> <span class="n">prefix</span><span class="p">,</span> <span class="n">version</span><span class="o">=</span><span class="s1">'2.0'</span><span class="p">,</span> <span class="n">names</span><span class="o">=</span><span class="kc">None</span><span class="p">,</span> <span class="o">**</span><span class="n">kwargs</span><span class="p">):</span>
|
|
<span class="sd">"""Read rwms format from given folder structure. Returns a list of length nrw</span>
|
|
|
|
<span class="sd"> Parameters</span>
|
|
<span class="sd"> ----------</span>
|
|
<span class="sd"> path : str</span>
|
|
<span class="sd"> path that contains the data files</span>
|
|
<span class="sd"> prefix : str</span>
|
|
<span class="sd"> all files in path that start with prefix are considered as input files.</span>
|
|
<span class="sd"> May be used together postfix to consider only special file endings.</span>
|
|
<span class="sd"> Prefix is ignored, if the keyword 'files' is used.</span>
|
|
<span class="sd"> version : str</span>
|
|
<span class="sd"> version of openQCD, default 2.0</span>
|
|
<span class="sd"> names : list</span>
|
|
<span class="sd"> list of names that is assigned to the data according according</span>
|
|
<span class="sd"> to the order in the file list. Use careful, if you do not provide file names!</span>
|
|
<span class="sd"> r_start : list</span>
|
|
<span class="sd"> list which contains the first config to be read for each replicum</span>
|
|
<span class="sd"> r_stop : list</span>
|
|
<span class="sd"> list which contains the last config to be read for each replicum</span>
|
|
<span class="sd"> r_step : int</span>
|
|
<span class="sd"> integer that defines a fixed step size between two measurements (in units of configs)</span>
|
|
<span class="sd"> If not given, r_step=1 is assumed.</span>
|
|
<span class="sd"> postfix : str</span>
|
|
<span class="sd"> postfix of the file to read, e.g. '.ms1' for openQCD-files</span>
|
|
<span class="sd"> files : list</span>
|
|
<span class="sd"> list which contains the filenames to be read. No automatic detection of</span>
|
|
<span class="sd"> files performed if given.</span>
|
|
<span class="sd"> print_err : bool</span>
|
|
<span class="sd"> Print additional information that is useful for debugging.</span>
|
|
<span class="sd"> """</span>
|
|
<span class="n">known_oqcd_versions</span> <span class="o">=</span> <span class="p">[</span><span class="s1">'1.4'</span><span class="p">,</span> <span class="s1">'1.6'</span><span class="p">,</span> <span class="s1">'2.0'</span><span class="p">]</span>
|
|
<span class="k">if</span> <span class="ow">not</span> <span class="p">(</span><span class="n">version</span> <span class="ow">in</span> <span class="n">known_oqcd_versions</span><span class="p">):</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Unknown openQCD version defined!'</span><span class="p">)</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s2">"Working with openQCD version "</span> <span class="o">+</span> <span class="n">version</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="s1">'postfix'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">postfix</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'postfix'</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">postfix</span> <span class="o">=</span> <span class="s1">''</span>
|
|
<span class="n">ls</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="p">(</span><span class="n">dirpath</span><span class="p">,</span> <span class="n">dirnames</span><span class="p">,</span> <span class="n">filenames</span><span class="p">)</span> <span class="ow">in</span> <span class="n">os</span><span class="o">.</span><span class="n">walk</span><span class="p">(</span><span class="n">path</span><span class="p">):</span>
|
|
<span class="n">ls</span><span class="o">.</span><span class="n">extend</span><span class="p">(</span><span class="n">filenames</span><span class="p">)</span>
|
|
<span class="k">break</span>
|
|
|
|
<span class="k">if</span> <span class="ow">not</span> <span class="n">ls</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Error, directory not found'</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="s1">'files'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">ls</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'files'</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">for</span> <span class="n">exc</span> <span class="ow">in</span> <span class="n">ls</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="ow">not</span> <span class="n">fnmatch</span><span class="o">.</span><span class="n">fnmatch</span><span class="p">(</span><span class="n">exc</span><span class="p">,</span> <span class="n">prefix</span> <span class="o">+</span> <span class="s1">'*'</span> <span class="o">+</span> <span class="n">postfix</span> <span class="o">+</span> <span class="s1">'.dat'</span><span class="p">):</span>
|
|
<span class="n">ls</span> <span class="o">=</span> <span class="nb">list</span><span class="p">(</span><span class="nb">set</span><span class="p">(</span><span class="n">ls</span><span class="p">)</span> <span class="o">-</span> <span class="nb">set</span><span class="p">([</span><span class="n">exc</span><span class="p">]))</span>
|
|
<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">ls</span><span class="p">)</span> <span class="o">></span> <span class="mi">1</span><span class="p">:</span>
|
|
<span class="n">ls</span><span class="o">.</span><span class="n">sort</span><span class="p">(</span><span class="n">key</span><span class="o">=</span><span class="k">lambda</span> <span class="n">x</span><span class="p">:</span> <span class="nb">int</span><span class="p">(</span><span class="n">re</span><span class="o">.</span><span class="n">findall</span><span class="p">(</span><span class="sa">r</span><span class="s1">'\d+'</span><span class="p">,</span> <span class="n">x</span><span class="p">[</span><span class="nb">len</span><span class="p">(</span><span class="n">prefix</span><span class="p">):])[</span><span class="mi">0</span><span class="p">]))</span>
|
|
<span class="n">replica</span> <span class="o">=</span> <span class="nb">len</span><span class="p">(</span><span class="n">ls</span><span class="p">)</span>
|
|
|
|
<span class="k">if</span> <span class="s1">'r_start'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">r_start</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'r_start'</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">r_start</span><span class="p">)</span> <span class="o">!=</span> <span class="n">replica</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'r_start does not match number of replicas'</span><span class="p">)</span>
|
|
<span class="n">r_start</span> <span class="o">=</span> <span class="p">[</span><span class="n">o</span> <span class="k">if</span> <span class="n">o</span> <span class="k">else</span> <span class="kc">None</span> <span class="k">for</span> <span class="n">o</span> <span class="ow">in</span> <span class="n">r_start</span><span class="p">]</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">r_start</span> <span class="o">=</span> <span class="p">[</span><span class="kc">None</span><span class="p">]</span> <span class="o">*</span> <span class="n">replica</span>
|
|
|
|
<span class="k">if</span> <span class="s1">'r_stop'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">r_stop</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'r_stop'</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">r_stop</span><span class="p">)</span> <span class="o">!=</span> <span class="n">replica</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'r_stop does not match number of replicas'</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">r_stop</span> <span class="o">=</span> <span class="p">[</span><span class="kc">None</span><span class="p">]</span> <span class="o">*</span> <span class="n">replica</span>
|
|
|
|
<span class="k">if</span> <span class="s1">'r_step'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">r_step</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'r_step'</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">r_step</span> <span class="o">=</span> <span class="mi">1</span>
|
|
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'Read reweighting factors from'</span><span class="p">,</span> <span class="n">prefix</span><span class="p">[:</span><span class="o">-</span><span class="mi">1</span><span class="p">],</span> <span class="s1">','</span><span class="p">,</span>
|
|
<span class="n">replica</span><span class="p">,</span> <span class="s1">'replica'</span><span class="p">,</span> <span class="n">end</span><span class="o">=</span><span class="s1">''</span><span class="p">)</span>
|
|
|
|
<span class="k">if</span> <span class="n">names</span> <span class="ow">is</span> <span class="kc">None</span><span class="p">:</span>
|
|
<span class="n">rep_names</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="n">entry</span> <span class="ow">in</span> <span class="n">ls</span><span class="p">:</span>
|
|
<span class="n">truncated_entry</span> <span class="o">=</span> <span class="n">entry</span><span class="o">.</span><span class="n">split</span><span class="p">(</span><span class="s1">'.'</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span>
|
|
<span class="n">idx</span> <span class="o">=</span> <span class="n">truncated_entry</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="s1">'r'</span><span class="p">)</span>
|
|
<span class="n">rep_names</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">truncated_entry</span><span class="p">[:</span><span class="n">idx</span><span class="p">]</span> <span class="o">+</span> <span class="s1">'|'</span> <span class="o">+</span> <span class="n">truncated_entry</span><span class="p">[</span><span class="n">idx</span><span class="p">:])</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">rep_names</span> <span class="o">=</span> <span class="n">names</span>
|
|
|
|
<span class="n">print_err</span> <span class="o">=</span> <span class="mi">0</span>
|
|
<span class="k">if</span> <span class="s1">'print_err'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">print_err</span> <span class="o">=</span> <span class="mi">1</span>
|
|
<span class="nb">print</span><span class="p">()</span>
|
|
|
|
<span class="n">deltas</span> <span class="o">=</span> <span class="p">[]</span>
|
|
|
|
<span class="n">configlist</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="n">r_start_index</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="n">r_stop_index</span> <span class="o">=</span> <span class="p">[]</span>
|
|
|
|
<span class="k">for</span> <span class="n">rep</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">replica</span><span class="p">):</span>
|
|
<span class="n">tmp_array</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">with</span> <span class="nb">open</span><span class="p">(</span><span class="n">path</span> <span class="o">+</span> <span class="s1">'/'</span> <span class="o">+</span> <span class="n">ls</span><span class="p">[</span><span class="n">rep</span><span class="p">],</span> <span class="s1">'rb'</span><span class="p">)</span> <span class="k">as</span> <span class="n">fp</span><span class="p">:</span>
|
|
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">4</span><span class="p">)</span> <span class="c1"># number of reweighting factors</span>
|
|
<span class="k">if</span> <span class="n">rep</span> <span class="o">==</span> <span class="mi">0</span><span class="p">:</span>
|
|
<span class="n">nrw</span> <span class="o">=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'i'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span>
|
|
<span class="k">if</span> <span class="n">version</span> <span class="o">==</span> <span class="s1">'2.0'</span><span class="p">:</span>
|
|
<span class="n">nrw</span> <span class="o">=</span> <span class="nb">int</span><span class="p">(</span><span class="n">nrw</span> <span class="o">/</span> <span class="mi">2</span><span class="p">)</span>
|
|
<span class="k">for</span> <span class="n">k</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nrw</span><span class="p">):</span>
|
|
<span class="n">deltas</span><span class="o">.</span><span class="n">append</span><span class="p">([])</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="p">((</span><span class="n">nrw</span> <span class="o">!=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'i'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span> <span class="ow">and</span> <span class="p">(</span><span class="ow">not</span> <span class="n">version</span> <span class="o">==</span> <span class="s1">'2.0'</span><span class="p">))</span> <span class="ow">or</span> <span class="p">(</span><span class="n">nrw</span> <span class="o">!=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'i'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span> <span class="o">/</span> <span class="mi">2</span> <span class="ow">and</span> <span class="n">version</span> <span class="o">==</span> <span class="s1">'2.0'</span><span class="p">)):</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Error: different number of reweighting factors for replicum'</span><span class="p">,</span> <span class="n">rep</span><span class="p">)</span>
|
|
|
|
<span class="k">for</span> <span class="n">k</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nrw</span><span class="p">):</span>
|
|
<span class="n">tmp_array</span><span class="o">.</span><span class="n">append</span><span class="p">([])</span>
|
|
|
|
<span class="c1"># This block is necessary for openQCD1.6 and openQCD2.0 ms1 files</span>
|
|
<span class="n">nfct</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">if</span> <span class="n">version</span> <span class="ow">in</span> <span class="p">[</span><span class="s1">'1.6'</span><span class="p">,</span> <span class="s1">'2.0'</span><span class="p">]:</span>
|
|
<span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nrw</span><span class="p">):</span>
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">4</span><span class="p">)</span>
|
|
<span class="n">nfct</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'i'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">])</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nrw</span><span class="p">):</span>
|
|
<span class="n">nfct</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="mi">1</span><span class="p">)</span>
|
|
|
|
<span class="n">nsrc</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nrw</span><span class="p">):</span>
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">4</span><span class="p">)</span>
|
|
<span class="n">nsrc</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'i'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">])</span>
|
|
<span class="k">if</span> <span class="n">version</span> <span class="o">==</span> <span class="s1">'2.0'</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="ow">not</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'i'</span><span class="p">,</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">4</span><span class="p">))[</span><span class="mi">0</span><span class="p">]</span> <span class="o">==</span> <span class="mi">0</span><span class="p">:</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'something is wrong!'</span><span class="p">)</span>
|
|
|
|
<span class="n">configlist</span><span class="o">.</span><span class="n">append</span><span class="p">([])</span>
|
|
<span class="k">while</span> <span class="mi">0</span> <span class="o"><</span> <span class="mi">1</span><span class="p">:</span>
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">4</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">t</span><span class="p">)</span> <span class="o"><</span> <span class="mi">4</span><span class="p">:</span>
|
|
<span class="k">break</span>
|
|
<span class="n">config_no</span> <span class="o">=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'i'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span>
|
|
<span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">config_no</span><span class="p">)</span>
|
|
<span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nrw</span><span class="p">):</span>
|
|
<span class="k">if</span><span class="p">(</span><span class="n">version</span> <span class="o">==</span> <span class="s1">'2.0'</span><span class="p">):</span>
|
|
<span class="n">tmpd</span> <span class="o">=</span> <span class="n">_read_array_openQCD2</span><span class="p">(</span><span class="n">fp</span><span class="p">)</span>
|
|
<span class="n">tmpd</span> <span class="o">=</span> <span class="n">_read_array_openQCD2</span><span class="p">(</span><span class="n">fp</span><span class="p">)</span>
|
|
<span class="n">tmp_rw</span> <span class="o">=</span> <span class="n">tmpd</span><span class="p">[</span><span class="s1">'arr'</span><span class="p">]</span>
|
|
<span class="n">tmp_nfct</span> <span class="o">=</span> <span class="mf">1.0</span>
|
|
<span class="k">for</span> <span class="n">j</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">tmpd</span><span class="p">[</span><span class="s1">'n'</span><span class="p">][</span><span class="mi">0</span><span class="p">]):</span>
|
|
<span class="n">tmp_nfct</span> <span class="o">*=</span> <span class="n">np</span><span class="o">.</span><span class="n">mean</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="o">-</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">tmp_rw</span><span class="p">[</span><span class="n">j</span><span class="p">])))</span>
|
|
<span class="k">if</span> <span class="n">print_err</span><span class="p">:</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="n">config_no</span><span class="p">,</span> <span class="n">i</span><span class="p">,</span> <span class="n">j</span><span class="p">,</span>
|
|
<span class="n">np</span><span class="o">.</span><span class="n">mean</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="o">-</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">tmp_rw</span><span class="p">[</span><span class="n">j</span><span class="p">]))),</span>
|
|
<span class="n">np</span><span class="o">.</span><span class="n">std</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="o">-</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">tmp_rw</span><span class="p">[</span><span class="n">j</span><span class="p">]))))</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'Sources:'</span><span class="p">,</span>
|
|
<span class="n">np</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="o">-</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">tmp_rw</span><span class="p">[</span><span class="n">j</span><span class="p">])))</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'Partial factor:'</span><span class="p">,</span> <span class="n">tmp_nfct</span><span class="p">)</span>
|
|
<span class="k">elif</span> <span class="n">version</span> <span class="o">==</span> <span class="s1">'1.6'</span> <span class="ow">or</span> <span class="n">version</span> <span class="o">==</span> <span class="s1">'1.4'</span><span class="p">:</span>
|
|
<span class="n">tmp_nfct</span> <span class="o">=</span> <span class="mf">1.0</span>
|
|
<span class="k">for</span> <span class="n">j</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nfct</span><span class="p">[</span><span class="n">i</span><span class="p">]):</span>
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">8</span> <span class="o">*</span> <span class="n">nsrc</span><span class="p">[</span><span class="n">i</span><span class="p">])</span>
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">8</span> <span class="o">*</span> <span class="n">nsrc</span><span class="p">[</span><span class="n">i</span><span class="p">])</span>
|
|
<span class="n">tmp_rw</span> <span class="o">=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'d'</span> <span class="o">*</span> <span class="n">nsrc</span><span class="p">[</span><span class="n">i</span><span class="p">],</span> <span class="n">t</span><span class="p">)</span>
|
|
<span class="n">tmp_nfct</span> <span class="o">*=</span> <span class="n">np</span><span class="o">.</span><span class="n">mean</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="o">-</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">tmp_rw</span><span class="p">)))</span>
|
|
<span class="k">if</span> <span class="n">print_err</span><span class="p">:</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="n">config_no</span><span class="p">,</span> <span class="n">i</span><span class="p">,</span> <span class="n">j</span><span class="p">,</span>
|
|
<span class="n">np</span><span class="o">.</span><span class="n">mean</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="o">-</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">tmp_rw</span><span class="p">))),</span>
|
|
<span class="n">np</span><span class="o">.</span><span class="n">std</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="o">-</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">tmp_rw</span><span class="p">))))</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'Sources:'</span><span class="p">,</span> <span class="n">np</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="o">-</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">tmp_rw</span><span class="p">)))</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'Partial factor:'</span><span class="p">,</span> <span class="n">tmp_nfct</span><span class="p">)</span>
|
|
<span class="n">tmp_array</span><span class="p">[</span><span class="n">i</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">tmp_nfct</span><span class="p">)</span>
|
|
|
|
<span class="n">diffmeas</span> <span class="o">=</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span> <span class="o">-</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="o">-</span><span class="mi">2</span><span class="p">]</span>
|
|
<span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="n">item</span> <span class="o">//</span> <span class="n">diffmeas</span> <span class="k">for</span> <span class="n">item</span> <span class="ow">in</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]]</span>
|
|
<span class="k">if</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">></span> <span class="mi">1</span> <span class="ow">and</span> <span class="n">diffmeas</span> <span class="o">></span> <span class="mi">1</span><span class="p">:</span>
|
|
<span class="n">warnings</span><span class="o">.</span><span class="n">warn</span><span class="p">(</span><span class="s1">'Assume thermalization and that the first measurement belongs to the first config.'</span><span class="p">)</span>
|
|
<span class="n">offset</span> <span class="o">=</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">-</span> <span class="mi">1</span>
|
|
<span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="n">item</span> <span class="o">-</span> <span class="n">offset</span> <span class="k">for</span> <span class="n">item</span> <span class="ow">in</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]]</span>
|
|
|
|
<span class="k">if</span> <span class="n">r_start</span><span class="p">[</span><span class="n">rep</span><span class="p">]</span> <span class="ow">is</span> <span class="kc">None</span><span class="p">:</span>
|
|
<span class="n">r_start_index</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="mi">0</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">try</span><span class="p">:</span>
|
|
<span class="n">r_start_index</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="n">r_start</span><span class="p">[</span><span class="n">rep</span><span class="p">]))</span>
|
|
<span class="k">except</span> <span class="ne">ValueError</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Config </span><span class="si">%d</span><span class="s1"> not in file with range [</span><span class="si">%d</span><span class="s1">, </span><span class="si">%d</span><span class="s1">]'</span> <span class="o">%</span> <span class="p">(</span>
|
|
<span class="n">r_start</span><span class="p">[</span><span class="n">rep</span><span class="p">],</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">],</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="o">-</span><span class="mi">1</span><span class="p">]))</span> <span class="kn">from</span> <span class="bp">None</span>
|
|
|
|
<span class="k">if</span> <span class="n">r_stop</span><span class="p">[</span><span class="n">rep</span><span class="p">]</span> <span class="ow">is</span> <span class="kc">None</span><span class="p">:</span>
|
|
<span class="n">r_stop_index</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">])</span> <span class="o">-</span> <span class="mi">1</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">try</span><span class="p">:</span>
|
|
<span class="n">r_stop_index</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="n">r_stop</span><span class="p">[</span><span class="n">rep</span><span class="p">]))</span>
|
|
<span class="k">except</span> <span class="ne">ValueError</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Config </span><span class="si">%d</span><span class="s1"> not in file with range [</span><span class="si">%d</span><span class="s1">, </span><span class="si">%d</span><span class="s1">]'</span> <span class="o">%</span> <span class="p">(</span>
|
|
<span class="n">r_stop</span><span class="p">[</span><span class="n">rep</span><span class="p">],</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">],</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="o">-</span><span class="mi">1</span><span class="p">]))</span> <span class="kn">from</span> <span class="bp">None</span>
|
|
|
|
<span class="k">for</span> <span class="n">k</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nrw</span><span class="p">):</span>
|
|
<span class="n">deltas</span><span class="p">[</span><span class="n">k</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">tmp_array</span><span class="p">[</span><span class="n">k</span><span class="p">][</span><span class="n">r_start_index</span><span class="p">[</span><span class="n">rep</span><span class="p">]:</span><span class="n">r_stop_index</span><span class="p">[</span><span class="n">rep</span><span class="p">]</span> <span class="o">+</span> <span class="mi">1</span><span class="p">][::</span><span class="n">r_step</span><span class="p">])</span>
|
|
|
|
<span class="k">if</span> <span class="n">np</span><span class="o">.</span><span class="n">any</span><span class="p">([</span><span class="nb">len</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">unique</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">diff</span><span class="p">(</span><span class="n">cl</span><span class="p">)))</span> <span class="o">!=</span> <span class="mi">1</span> <span class="k">for</span> <span class="n">cl</span> <span class="ow">in</span> <span class="n">configlist</span><span class="p">]):</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Irregular spaced data in input file!'</span><span class="p">,</span> <span class="p">[</span><span class="nb">len</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">unique</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">diff</span><span class="p">(</span><span class="n">cl</span><span class="p">)))</span> <span class="k">for</span> <span class="n">cl</span> <span class="ow">in</span> <span class="n">configlist</span><span class="p">])</span>
|
|
<span class="n">stepsizes</span> <span class="o">=</span> <span class="p">[</span><span class="nb">list</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">unique</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">diff</span><span class="p">(</span><span class="n">cl</span><span class="p">)))[</span><span class="mi">0</span><span class="p">]</span> <span class="k">for</span> <span class="n">cl</span> <span class="ow">in</span> <span class="n">configlist</span><span class="p">]</span>
|
|
<span class="k">if</span> <span class="n">np</span><span class="o">.</span><span class="n">any</span><span class="p">([</span><span class="n">step</span> <span class="o">!=</span> <span class="mi">1</span> <span class="k">for</span> <span class="n">step</span> <span class="ow">in</span> <span class="n">stepsizes</span><span class="p">]):</span>
|
|
<span class="n">warnings</span><span class="o">.</span><span class="n">warn</span><span class="p">(</span><span class="s1">'Stepsize between configurations is greater than one!'</span> <span class="o">+</span> <span class="nb">str</span><span class="p">(</span><span class="n">stepsizes</span><span class="p">),</span> <span class="ne">RuntimeWarning</span><span class="p">)</span>
|
|
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">','</span><span class="p">,</span> <span class="n">nrw</span><span class="p">,</span> <span class="s1">'reweighting factors with'</span><span class="p">,</span> <span class="n">nsrc</span><span class="p">,</span> <span class="s1">'sources'</span><span class="p">)</span>
|
|
<span class="n">result</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="n">idl</span> <span class="o">=</span> <span class="p">[</span><span class="nb">range</span><span class="p">(</span><span class="n">configlist</span><span class="p">[</span><span class="n">rep</span><span class="p">][</span><span class="n">r_start_index</span><span class="p">[</span><span class="n">rep</span><span class="p">]],</span> <span class="n">configlist</span><span class="p">[</span><span class="n">rep</span><span class="p">][</span><span class="n">r_stop_index</span><span class="p">[</span><span class="n">rep</span><span class="p">]]</span> <span class="o">+</span> <span class="mi">1</span><span class="p">,</span> <span class="n">r_step</span><span class="p">)</span> <span class="k">for</span> <span class="n">rep</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">replica</span><span class="p">)]</span>
|
|
|
|
<span class="k">for</span> <span class="n">t</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nrw</span><span class="p">):</span>
|
|
<span class="n">result</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">Obs</span><span class="p">(</span><span class="n">deltas</span><span class="p">[</span><span class="n">t</span><span class="p">],</span> <span class="n">rep_names</span><span class="p">,</span> <span class="n">idl</span><span class="o">=</span><span class="n">idl</span><span class="p">))</span>
|
|
<span class="k">return</span> <span class="n">result</span>
|
|
</pre></div>
|
|
|
|
</details>
|
|
|
|
<div class="docstring"><p>Read rwms format from given folder structure. Returns a list of length nrw</p>
|
|
|
|
<h6 id="parameters">Parameters</h6>
|
|
|
|
<ul>
|
|
<li><strong>path</strong> (str):
|
|
path that contains the data files</li>
|
|
<li><strong>prefix</strong> (str):
|
|
all files in path that start with prefix are considered as input files.
|
|
May be used together postfix to consider only special file endings.
|
|
Prefix is ignored, if the keyword 'files' is used.</li>
|
|
<li><strong>version</strong> (str):
|
|
version of openQCD, default 2.0</li>
|
|
<li><strong>names</strong> (list):
|
|
list of names that is assigned to the data according according
|
|
to the order in the file list. Use careful, if you do not provide file names!</li>
|
|
<li><strong>r_start</strong> (list):
|
|
list which contains the first config to be read for each replicum</li>
|
|
<li><strong>r_stop</strong> (list):
|
|
list which contains the last config to be read for each replicum</li>
|
|
<li><strong>r_step</strong> (int):
|
|
integer that defines a fixed step size between two measurements (in units of configs)
|
|
If not given, r_step=1 is assumed.</li>
|
|
<li><strong>postfix</strong> (str):
|
|
postfix of the file to read, e.g. '.ms1' for openQCD-files</li>
|
|
<li><strong>files</strong> (list):
|
|
list which contains the filenames to be read. No automatic detection of
|
|
files performed if given.</li>
|
|
<li><strong>print_err</strong> (bool):
|
|
Print additional information that is useful for debugging.</li>
|
|
</ul>
|
|
</div>
|
|
|
|
|
|
</section>
|
|
<section id="extract_t0">
|
|
<div class="attr function"><a class="headerlink" href="#extract_t0">#  </a>
|
|
|
|
|
|
<span class="def">def</span>
|
|
<span class="name">extract_t0</span><span class="signature">(path, prefix, dtr_read, xmin, spatial_extent, fit_range=5, **kwargs)</span>:
|
|
</div>
|
|
|
|
<details>
|
|
<summary>View Source</summary>
|
|
<div class="codehilite"><pre><span></span><span class="k">def</span> <span class="nf">extract_t0</span><span class="p">(</span><span class="n">path</span><span class="p">,</span> <span class="n">prefix</span><span class="p">,</span> <span class="n">dtr_read</span><span class="p">,</span> <span class="n">xmin</span><span class="p">,</span> <span class="n">spatial_extent</span><span class="p">,</span> <span class="n">fit_range</span><span class="o">=</span><span class="mi">5</span><span class="p">,</span> <span class="o">**</span><span class="n">kwargs</span><span class="p">):</span>
|
|
<span class="sd">"""Extract t0 from given .ms.dat files. Returns t0 as Obs.</span>
|
|
|
|
<span class="sd"> It is assumed that all boundary effects have</span>
|
|
<span class="sd"> sufficiently decayed at x0=xmin.</span>
|
|
<span class="sd"> The data around the zero crossing of t^2<E> - 0.3</span>
|
|
<span class="sd"> is fitted with a linear function</span>
|
|
<span class="sd"> from which the exact root is extracted.</span>
|
|
|
|
<span class="sd"> It is assumed that one measurement is performed for each config.</span>
|
|
<span class="sd"> If this is not the case, the resulting idl, as well as the handling</span>
|
|
<span class="sd"> of r_start, r_stop and r_step is wrong and the user has to correct</span>
|
|
<span class="sd"> this in the resulting observable.</span>
|
|
|
|
<span class="sd"> Parameters</span>
|
|
<span class="sd"> ----------</span>
|
|
<span class="sd"> path : str</span>
|
|
<span class="sd"> Path to .ms.dat files</span>
|
|
<span class="sd"> prefix : str</span>
|
|
<span class="sd"> Ensemble prefix</span>
|
|
<span class="sd"> dtr_read : int</span>
|
|
<span class="sd"> Determines how many trajectories should be skipped</span>
|
|
<span class="sd"> when reading the ms.dat files.</span>
|
|
<span class="sd"> Corresponds to dtr_cnfg / dtr_ms in the openQCD input file.</span>
|
|
<span class="sd"> xmin : int</span>
|
|
<span class="sd"> First timeslice where the boundary</span>
|
|
<span class="sd"> effects have sufficiently decayed.</span>
|
|
<span class="sd"> spatial_extent : int</span>
|
|
<span class="sd"> spatial extent of the lattice, required for normalization.</span>
|
|
<span class="sd"> fit_range : int</span>
|
|
<span class="sd"> Number of data points left and right of the zero</span>
|
|
<span class="sd"> crossing to be included in the linear fit. (Default: 5)</span>
|
|
<span class="sd"> r_start : list</span>
|
|
<span class="sd"> list which contains the first config to be read for each replicum.</span>
|
|
<span class="sd"> r_stop : list</span>
|
|
<span class="sd"> list which contains the last config to be read for each replicum.</span>
|
|
<span class="sd"> r_step : int</span>
|
|
<span class="sd"> integer that defines a fixed step size between two measurements (in units of configs)</span>
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|
<span class="sd"> If not given, r_step=1 is assumed.</span>
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|
<span class="sd"> plaquette : bool</span>
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<span class="sd"> If true extract the plaquette estimate of t0 instead.</span>
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|
<span class="sd"> names : list</span>
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|
<span class="sd"> list of names that is assigned to the data according according</span>
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|
<span class="sd"> to the order in the file list. Use careful, if you do not provide file names!</span>
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|
<span class="sd"> files : list</span>
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<span class="sd"> list which contains the filenames to be read. No automatic detection of</span>
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|
<span class="sd"> files performed if given.</span>
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|
<span class="sd"> plot_fit : bool</span>
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|
<span class="sd"> If true, the fit for the extraction of t0 is shown together with the data.</span>
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|
<span class="sd"> assume_thermalization : bool</span>
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|
<span class="sd"> If True: If the first record divided by the distance between two measurements is larger than</span>
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|
<span class="sd"> 1, it is assumed that this is due to thermalization and the first measurement belongs</span>
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|
<span class="sd"> to the first config (default).</span>
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<span class="sd"> If False: The config numbers are assumed to be traj_number // difference</span>
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<span class="sd"> """</span>
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<span class="n">ls</span> <span class="o">=</span> <span class="p">[]</span>
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<span class="k">for</span> <span class="p">(</span><span class="n">dirpath</span><span class="p">,</span> <span class="n">dirnames</span><span class="p">,</span> <span class="n">filenames</span><span class="p">)</span> <span class="ow">in</span> <span class="n">os</span><span class="o">.</span><span class="n">walk</span><span class="p">(</span><span class="n">path</span><span class="p">):</span>
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<span class="n">ls</span><span class="o">.</span><span class="n">extend</span><span class="p">(</span><span class="n">filenames</span><span class="p">)</span>
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<span class="k">break</span>
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<span class="k">if</span> <span class="ow">not</span> <span class="n">ls</span><span class="p">:</span>
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<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Error, directory not found'</span><span class="p">)</span>
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<span class="k">if</span> <span class="s1">'files'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
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<span class="n">ls</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'files'</span><span class="p">)</span>
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<span class="k">else</span><span class="p">:</span>
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<span class="k">for</span> <span class="n">exc</span> <span class="ow">in</span> <span class="n">ls</span><span class="p">:</span>
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<span class="k">if</span> <span class="ow">not</span> <span class="n">fnmatch</span><span class="o">.</span><span class="n">fnmatch</span><span class="p">(</span><span class="n">exc</span><span class="p">,</span> <span class="n">prefix</span> <span class="o">+</span> <span class="s1">'*.ms.dat'</span><span class="p">):</span>
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<span class="n">ls</span> <span class="o">=</span> <span class="nb">list</span><span class="p">(</span><span class="nb">set</span><span class="p">(</span><span class="n">ls</span><span class="p">)</span> <span class="o">-</span> <span class="nb">set</span><span class="p">([</span><span class="n">exc</span><span class="p">]))</span>
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<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">ls</span><span class="p">)</span> <span class="o">></span> <span class="mi">1</span><span class="p">:</span>
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|
<span class="n">ls</span><span class="o">.</span><span class="n">sort</span><span class="p">(</span><span class="n">key</span><span class="o">=</span><span class="k">lambda</span> <span class="n">x</span><span class="p">:</span> <span class="nb">int</span><span class="p">(</span><span class="n">re</span><span class="o">.</span><span class="n">findall</span><span class="p">(</span><span class="sa">r</span><span class="s1">'\d+'</span><span class="p">,</span> <span class="n">x</span><span class="p">[</span><span class="nb">len</span><span class="p">(</span><span class="n">prefix</span><span class="p">):])[</span><span class="mi">0</span><span class="p">]))</span>
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<span class="n">replica</span> <span class="o">=</span> <span class="nb">len</span><span class="p">(</span><span class="n">ls</span><span class="p">)</span>
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<span class="k">if</span> <span class="s1">'r_start'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
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<span class="n">r_start</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'r_start'</span><span class="p">)</span>
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<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">r_start</span><span class="p">)</span> <span class="o">!=</span> <span class="n">replica</span><span class="p">:</span>
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|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'r_start does not match number of replicas'</span><span class="p">)</span>
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<span class="n">r_start</span> <span class="o">=</span> <span class="p">[</span><span class="n">o</span> <span class="k">if</span> <span class="n">o</span> <span class="k">else</span> <span class="kc">None</span> <span class="k">for</span> <span class="n">o</span> <span class="ow">in</span> <span class="n">r_start</span><span class="p">]</span>
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|
<span class="k">else</span><span class="p">:</span>
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|
<span class="n">r_start</span> <span class="o">=</span> <span class="p">[</span><span class="kc">None</span><span class="p">]</span> <span class="o">*</span> <span class="n">replica</span>
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|
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|
<span class="k">if</span> <span class="s1">'r_stop'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
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<span class="n">r_stop</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'r_stop'</span><span class="p">)</span>
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<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">r_stop</span><span class="p">)</span> <span class="o">!=</span> <span class="n">replica</span><span class="p">:</span>
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|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'r_stop does not match number of replicas'</span><span class="p">)</span>
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|
<span class="k">else</span><span class="p">:</span>
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|
<span class="n">r_stop</span> <span class="o">=</span> <span class="p">[</span><span class="kc">None</span><span class="p">]</span> <span class="o">*</span> <span class="n">replica</span>
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|
|
|
<span class="k">if</span> <span class="s1">'r_step'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
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|
<span class="n">r_step</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'r_step'</span><span class="p">)</span>
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|
<span class="k">else</span><span class="p">:</span>
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<span class="n">r_step</span> <span class="o">=</span> <span class="mi">1</span>
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<span class="nb">print</span><span class="p">(</span><span class="s1">'Extract t0 from'</span><span class="p">,</span> <span class="n">prefix</span><span class="p">,</span> <span class="s1">','</span><span class="p">,</span> <span class="n">replica</span><span class="p">,</span> <span class="s1">'replica'</span><span class="p">)</span>
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|
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<span class="k">if</span> <span class="s1">'names'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
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<span class="n">rep_names</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'names'</span><span class="p">)</span>
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|
<span class="k">else</span><span class="p">:</span>
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|
<span class="n">rep_names</span> <span class="o">=</span> <span class="p">[]</span>
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<span class="k">for</span> <span class="n">entry</span> <span class="ow">in</span> <span class="n">ls</span><span class="p">:</span>
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<span class="n">truncated_entry</span> <span class="o">=</span> <span class="n">entry</span><span class="o">.</span><span class="n">split</span><span class="p">(</span><span class="s1">'.'</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span>
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|
<span class="n">idx</span> <span class="o">=</span> <span class="n">truncated_entry</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="s1">'r'</span><span class="p">)</span>
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|
<span class="n">rep_names</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">truncated_entry</span><span class="p">[:</span><span class="n">idx</span><span class="p">]</span> <span class="o">+</span> <span class="s1">'|'</span> <span class="o">+</span> <span class="n">truncated_entry</span><span class="p">[</span><span class="n">idx</span><span class="p">:])</span>
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<span class="n">Ysum</span> <span class="o">=</span> <span class="p">[]</span>
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<span class="n">configlist</span> <span class="o">=</span> <span class="p">[]</span>
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<span class="n">r_start_index</span> <span class="o">=</span> <span class="p">[]</span>
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<span class="n">r_stop_index</span> <span class="o">=</span> <span class="p">[]</span>
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<span class="k">for</span> <span class="n">rep</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">replica</span><span class="p">):</span>
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<span class="k">with</span> <span class="nb">open</span><span class="p">(</span><span class="n">path</span> <span class="o">+</span> <span class="s1">'/'</span> <span class="o">+</span> <span class="n">ls</span><span class="p">[</span><span class="n">rep</span><span class="p">],</span> <span class="s1">'rb'</span><span class="p">)</span> <span class="k">as</span> <span class="n">fp</span><span class="p">:</span>
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<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">12</span><span class="p">)</span>
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<span class="n">header</span> <span class="o">=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'iii'</span><span class="p">,</span> <span class="n">t</span><span class="p">)</span>
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<span class="k">if</span> <span class="n">rep</span> <span class="o">==</span> <span class="mi">0</span><span class="p">:</span>
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<span class="n">dn</span> <span class="o">=</span> <span class="n">header</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span>
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<span class="n">nn</span> <span class="o">=</span> <span class="n">header</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span>
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<span class="n">tmax</span> <span class="o">=</span> <span class="n">header</span><span class="p">[</span><span class="mi">2</span><span class="p">]</span>
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<span class="k">elif</span> <span class="n">dn</span> <span class="o">!=</span> <span class="n">header</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="ow">or</span> <span class="n">nn</span> <span class="o">!=</span> <span class="n">header</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="ow">or</span> <span class="n">tmax</span> <span class="o">!=</span> <span class="n">header</span><span class="p">[</span><span class="mi">2</span><span class="p">]:</span>
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<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Replica parameters do not match.'</span><span class="p">)</span>
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<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">8</span><span class="p">)</span>
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<span class="k">if</span> <span class="n">rep</span> <span class="o">==</span> <span class="mi">0</span><span class="p">:</span>
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<span class="n">eps</span> <span class="o">=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'d'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span>
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<span class="nb">print</span><span class="p">(</span><span class="s1">'Step size:'</span><span class="p">,</span> <span class="n">eps</span><span class="p">,</span> <span class="s1">', Maximal t value:'</span><span class="p">,</span> <span class="n">dn</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span><span class="p">)</span> <span class="o">*</span> <span class="n">eps</span><span class="p">)</span>
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|
<span class="k">elif</span> <span class="n">eps</span> <span class="o">!=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'d'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">]:</span>
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|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Values for eps do not match among replica.'</span><span class="p">)</span>
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|
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|
<span class="n">Ysl</span> <span class="o">=</span> <span class="p">[]</span>
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|
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|
<span class="n">configlist</span><span class="o">.</span><span class="n">append</span><span class="p">([])</span>
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<span class="k">while</span> <span class="mi">0</span> <span class="o"><</span> <span class="mi">1</span><span class="p">:</span>
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<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">4</span><span class="p">)</span>
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<span class="k">if</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">t</span><span class="p">)</span> <span class="o"><</span> <span class="mi">4</span><span class="p">):</span>
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<span class="k">break</span>
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<span class="n">nc</span> <span class="o">=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'i'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span>
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|
<span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">nc</span><span class="p">)</span>
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<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">8</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">))</span>
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|
<span class="k">if</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'plaquette'</span><span class="p">):</span>
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<span class="k">if</span> <span class="n">nc</span> <span class="o">%</span> <span class="n">dtr_read</span> <span class="o">==</span> <span class="mi">0</span><span class="p">:</span>
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|
<span class="n">Ysl</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'d'</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">),</span> <span class="n">t</span><span class="p">))</span>
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|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">8</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">))</span>
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|
<span class="k">if</span> <span class="ow">not</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'plaquette'</span><span class="p">):</span>
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|
<span class="k">if</span> <span class="n">nc</span> <span class="o">%</span> <span class="n">dtr_read</span> <span class="o">==</span> <span class="mi">0</span><span class="p">:</span>
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|
<span class="n">Ysl</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'d'</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">),</span> <span class="n">t</span><span class="p">))</span>
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|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">8</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">))</span>
|
|
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|
<span class="n">Ysum</span><span class="o">.</span><span class="n">append</span><span class="p">([])</span>
|
|
<span class="k">for</span> <span class="n">i</span><span class="p">,</span> <span class="n">item</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">Ysl</span><span class="p">):</span>
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|
<span class="n">Ysum</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="n">np</span><span class="o">.</span><span class="n">mean</span><span class="p">(</span><span class="n">item</span><span class="p">[</span><span class="n">current</span> <span class="o">+</span> <span class="n">xmin</span><span class="p">:</span>
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|
<span class="n">current</span> <span class="o">+</span> <span class="n">tmax</span> <span class="o">-</span> <span class="n">xmin</span><span class="p">])</span>
|
|
<span class="k">for</span> <span class="n">current</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="mi">0</span><span class="p">,</span> <span class="nb">len</span><span class="p">(</span><span class="n">item</span><span class="p">),</span> <span class="n">tmax</span><span class="p">)])</span>
|
|
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|
<span class="n">diffmeas</span> <span class="o">=</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span> <span class="o">-</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="o">-</span><span class="mi">2</span><span class="p">]</span>
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|
<span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="n">item</span> <span class="o">//</span> <span class="n">diffmeas</span> <span class="k">for</span> <span class="n">item</span> <span class="ow">in</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]]</span>
|
|
<span class="k">if</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'assume_thermalization'</span><span class="p">,</span> <span class="kc">True</span><span class="p">)</span> <span class="ow">and</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">></span> <span class="mi">1</span><span class="p">:</span>
|
|
<span class="n">warnings</span><span class="o">.</span><span class="n">warn</span><span class="p">(</span><span class="s1">'Assume thermalization and that the first measurement belongs to the first config.'</span><span class="p">)</span>
|
|
<span class="n">offset</span> <span class="o">=</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">-</span> <span class="mi">1</span>
|
|
<span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="n">item</span> <span class="o">-</span> <span class="n">offset</span> <span class="k">for</span> <span class="n">item</span> <span class="ow">in</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]]</span>
|
|
|
|
<span class="k">if</span> <span class="n">r_start</span><span class="p">[</span><span class="n">rep</span><span class="p">]</span> <span class="ow">is</span> <span class="kc">None</span><span class="p">:</span>
|
|
<span class="n">r_start_index</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="mi">0</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">try</span><span class="p">:</span>
|
|
<span class="n">r_start_index</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="n">r_start</span><span class="p">[</span><span class="n">rep</span><span class="p">]))</span>
|
|
<span class="k">except</span> <span class="ne">ValueError</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Config </span><span class="si">%d</span><span class="s1"> not in file with range [</span><span class="si">%d</span><span class="s1">, </span><span class="si">%d</span><span class="s1">]'</span> <span class="o">%</span> <span class="p">(</span>
|
|
<span class="n">r_start</span><span class="p">[</span><span class="n">rep</span><span class="p">],</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">],</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="o">-</span><span class="mi">1</span><span class="p">]))</span> <span class="kn">from</span> <span class="bp">None</span>
|
|
|
|
<span class="k">if</span> <span class="n">r_stop</span><span class="p">[</span><span class="n">rep</span><span class="p">]</span> <span class="ow">is</span> <span class="kc">None</span><span class="p">:</span>
|
|
<span class="n">r_stop_index</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">])</span> <span class="o">-</span> <span class="mi">1</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">try</span><span class="p">:</span>
|
|
<span class="n">r_stop_index</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="n">r_stop</span><span class="p">[</span><span class="n">rep</span><span class="p">]))</span>
|
|
<span class="k">except</span> <span class="ne">ValueError</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Config </span><span class="si">%d</span><span class="s1"> not in file with range [</span><span class="si">%d</span><span class="s1">, </span><span class="si">%d</span><span class="s1">]'</span> <span class="o">%</span> <span class="p">(</span>
|
|
<span class="n">r_stop</span><span class="p">[</span><span class="n">rep</span><span class="p">],</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">],</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="o">-</span><span class="mi">1</span><span class="p">]))</span> <span class="kn">from</span> <span class="bp">None</span>
|
|
|
|
<span class="k">if</span> <span class="n">np</span><span class="o">.</span><span class="n">any</span><span class="p">([</span><span class="nb">len</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">unique</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">diff</span><span class="p">(</span><span class="n">cl</span><span class="p">)))</span> <span class="o">!=</span> <span class="mi">1</span> <span class="k">for</span> <span class="n">cl</span> <span class="ow">in</span> <span class="n">configlist</span><span class="p">]):</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Irregular spaced data in input file!'</span><span class="p">,</span> <span class="p">[</span><span class="nb">len</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">unique</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">diff</span><span class="p">(</span><span class="n">cl</span><span class="p">)))</span> <span class="k">for</span> <span class="n">cl</span> <span class="ow">in</span> <span class="n">configlist</span><span class="p">])</span>
|
|
<span class="n">stepsizes</span> <span class="o">=</span> <span class="p">[</span><span class="nb">list</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">unique</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">diff</span><span class="p">(</span><span class="n">cl</span><span class="p">)))[</span><span class="mi">0</span><span class="p">]</span> <span class="k">for</span> <span class="n">cl</span> <span class="ow">in</span> <span class="n">configlist</span><span class="p">]</span>
|
|
<span class="k">if</span> <span class="n">np</span><span class="o">.</span><span class="n">any</span><span class="p">([</span><span class="n">step</span> <span class="o">!=</span> <span class="mi">1</span> <span class="k">for</span> <span class="n">step</span> <span class="ow">in</span> <span class="n">stepsizes</span><span class="p">]):</span>
|
|
<span class="n">warnings</span><span class="o">.</span><span class="n">warn</span><span class="p">(</span><span class="s1">'Stepsize between configurations is greater than one!'</span> <span class="o">+</span> <span class="nb">str</span><span class="p">(</span><span class="n">stepsizes</span><span class="p">),</span> <span class="ne">RuntimeWarning</span><span class="p">)</span>
|
|
|
|
<span class="n">idl</span> <span class="o">=</span> <span class="p">[</span><span class="nb">range</span><span class="p">(</span><span class="n">configlist</span><span class="p">[</span><span class="n">rep</span><span class="p">][</span><span class="n">r_start_index</span><span class="p">[</span><span class="n">rep</span><span class="p">]],</span> <span class="n">configlist</span><span class="p">[</span><span class="n">rep</span><span class="p">][</span><span class="n">r_stop_index</span><span class="p">[</span><span class="n">rep</span><span class="p">]]</span> <span class="o">+</span> <span class="mi">1</span><span class="p">,</span> <span class="n">r_step</span><span class="p">)</span> <span class="k">for</span> <span class="n">rep</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">replica</span><span class="p">)]</span>
|
|
<span class="n">t2E_dict</span> <span class="o">=</span> <span class="p">{}</span>
|
|
<span class="k">for</span> <span class="n">n</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">):</span>
|
|
<span class="n">samples</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="n">nrep</span><span class="p">,</span> <span class="n">rep</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">Ysum</span><span class="p">):</span>
|
|
<span class="n">samples</span><span class="o">.</span><span class="n">append</span><span class="p">([])</span>
|
|
<span class="k">for</span> <span class="n">cnfg</span> <span class="ow">in</span> <span class="n">rep</span><span class="p">:</span>
|
|
<span class="n">samples</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">cnfg</span><span class="p">[</span><span class="n">n</span><span class="p">])</span>
|
|
<span class="n">samples</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="n">samples</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="n">r_start_index</span><span class="p">[</span><span class="n">nrep</span><span class="p">]:</span><span class="n">r_stop_index</span><span class="p">[</span><span class="n">nrep</span><span class="p">]</span> <span class="o">+</span> <span class="mi">1</span><span class="p">][::</span><span class="n">r_step</span><span class="p">]</span>
|
|
<span class="n">new_obs</span> <span class="o">=</span> <span class="n">Obs</span><span class="p">(</span><span class="n">samples</span><span class="p">,</span> <span class="n">rep_names</span><span class="p">,</span> <span class="n">idl</span><span class="o">=</span><span class="n">idl</span><span class="p">)</span>
|
|
<span class="n">t2E_dict</span><span class="p">[</span><span class="n">n</span> <span class="o">*</span> <span class="n">dn</span> <span class="o">*</span> <span class="n">eps</span><span class="p">]</span> <span class="o">=</span> <span class="p">(</span><span class="n">n</span> <span class="o">*</span> <span class="n">dn</span> <span class="o">*</span> <span class="n">eps</span><span class="p">)</span> <span class="o">**</span> <span class="mi">2</span> <span class="o">*</span> <span class="n">new_obs</span> <span class="o">/</span> <span class="p">(</span><span class="n">spatial_extent</span> <span class="o">**</span> <span class="mi">3</span><span class="p">)</span> <span class="o">-</span> <span class="mf">0.3</span>
|
|
|
|
<span class="n">zero_crossing</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">argmax</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span>
|
|
<span class="p">[</span><span class="n">o</span><span class="o">.</span><span class="n">value</span> <span class="k">for</span> <span class="n">o</span> <span class="ow">in</span> <span class="n">t2E_dict</span><span class="o">.</span><span class="n">values</span><span class="p">()])</span> <span class="o">></span> <span class="mf">0.0</span><span class="p">)</span>
|
|
|
|
<span class="n">x</span> <span class="o">=</span> <span class="nb">list</span><span class="p">(</span><span class="n">t2E_dict</span><span class="o">.</span><span class="n">keys</span><span class="p">())[</span><span class="n">zero_crossing</span> <span class="o">-</span> <span class="n">fit_range</span><span class="p">:</span>
|
|
<span class="n">zero_crossing</span> <span class="o">+</span> <span class="n">fit_range</span><span class="p">]</span>
|
|
<span class="n">y</span> <span class="o">=</span> <span class="nb">list</span><span class="p">(</span><span class="n">t2E_dict</span><span class="o">.</span><span class="n">values</span><span class="p">())[</span><span class="n">zero_crossing</span> <span class="o">-</span> <span class="n">fit_range</span><span class="p">:</span>
|
|
<span class="n">zero_crossing</span> <span class="o">+</span> <span class="n">fit_range</span><span class="p">]</span>
|
|
<span class="p">[</span><span class="n">o</span><span class="o">.</span><span class="n">gamma_method</span><span class="p">()</span> <span class="k">for</span> <span class="n">o</span> <span class="ow">in</span> <span class="n">y</span><span class="p">]</span>
|
|
|
|
<span class="n">fit_result</span> <span class="o">=</span> <span class="n">fit_lin</span><span class="p">(</span><span class="n">x</span><span class="p">,</span> <span class="n">y</span><span class="p">)</span>
|
|
|
|
<span class="k">if</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'plot_fit'</span><span class="p">):</span>
|
|
<span class="n">plt</span><span class="o">.</span><span class="n">figure</span><span class="p">()</span>
|
|
<span class="n">gs</span> <span class="o">=</span> <span class="n">gridspec</span><span class="o">.</span><span class="n">GridSpec</span><span class="p">(</span><span class="mi">2</span><span class="p">,</span> <span class="mi">1</span><span class="p">,</span> <span class="n">height_ratios</span><span class="o">=</span><span class="p">[</span><span class="mi">3</span><span class="p">,</span> <span class="mi">1</span><span class="p">],</span> <span class="n">wspace</span><span class="o">=</span><span class="mf">0.0</span><span class="p">,</span> <span class="n">hspace</span><span class="o">=</span><span class="mf">0.0</span><span class="p">)</span>
|
|
<span class="n">ax0</span> <span class="o">=</span> <span class="n">plt</span><span class="o">.</span><span class="n">subplot</span><span class="p">(</span><span class="n">gs</span><span class="p">[</span><span class="mi">0</span><span class="p">])</span>
|
|
<span class="n">xmore</span> <span class="o">=</span> <span class="nb">list</span><span class="p">(</span><span class="n">t2E_dict</span><span class="o">.</span><span class="n">keys</span><span class="p">())[</span><span class="n">zero_crossing</span> <span class="o">-</span> <span class="n">fit_range</span> <span class="o">-</span> <span class="mi">2</span><span class="p">:</span> <span class="n">zero_crossing</span> <span class="o">+</span> <span class="n">fit_range</span> <span class="o">+</span> <span class="mi">2</span><span class="p">]</span>
|
|
<span class="n">ymore</span> <span class="o">=</span> <span class="nb">list</span><span class="p">(</span><span class="n">t2E_dict</span><span class="o">.</span><span class="n">values</span><span class="p">())[</span><span class="n">zero_crossing</span> <span class="o">-</span> <span class="n">fit_range</span> <span class="o">-</span> <span class="mi">2</span><span class="p">:</span> <span class="n">zero_crossing</span> <span class="o">+</span> <span class="n">fit_range</span> <span class="o">+</span> <span class="mi">2</span><span class="p">]</span>
|
|
<span class="p">[</span><span class="n">o</span><span class="o">.</span><span class="n">gamma_method</span><span class="p">()</span> <span class="k">for</span> <span class="n">o</span> <span class="ow">in</span> <span class="n">ymore</span><span class="p">]</span>
|
|
<span class="n">ax0</span><span class="o">.</span><span class="n">errorbar</span><span class="p">(</span><span class="n">xmore</span><span class="p">,</span> <span class="p">[</span><span class="n">yi</span><span class="o">.</span><span class="n">value</span> <span class="k">for</span> <span class="n">yi</span> <span class="ow">in</span> <span class="n">ymore</span><span class="p">],</span> <span class="n">yerr</span><span class="o">=</span><span class="p">[</span><span class="n">yi</span><span class="o">.</span><span class="n">dvalue</span> <span class="k">for</span> <span class="n">yi</span> <span class="ow">in</span> <span class="n">ymore</span><span class="p">],</span> <span class="n">fmt</span><span class="o">=</span><span class="s1">'x'</span><span class="p">)</span>
|
|
<span class="n">xplot</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">linspace</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">min</span><span class="p">(</span><span class="n">x</span><span class="p">),</span> <span class="n">np</span><span class="o">.</span><span class="n">max</span><span class="p">(</span><span class="n">x</span><span class="p">))</span>
|
|
<span class="n">yplot</span> <span class="o">=</span> <span class="p">[</span><span class="n">fit_result</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">+</span> <span class="n">fit_result</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">*</span> <span class="n">xi</span> <span class="k">for</span> <span class="n">xi</span> <span class="ow">in</span> <span class="n">xplot</span><span class="p">]</span>
|
|
<span class="p">[</span><span class="n">yi</span><span class="o">.</span><span class="n">gamma_method</span><span class="p">()</span> <span class="k">for</span> <span class="n">yi</span> <span class="ow">in</span> <span class="n">yplot</span><span class="p">]</span>
|
|
<span class="n">ax0</span><span class="o">.</span><span class="n">fill_between</span><span class="p">(</span><span class="n">xplot</span><span class="p">,</span> <span class="n">y1</span><span class="o">=</span><span class="p">[</span><span class="n">yi</span><span class="o">.</span><span class="n">value</span> <span class="o">-</span> <span class="n">yi</span><span class="o">.</span><span class="n">dvalue</span> <span class="k">for</span> <span class="n">yi</span> <span class="ow">in</span> <span class="n">yplot</span><span class="p">],</span> <span class="n">y2</span><span class="o">=</span><span class="p">[</span><span class="n">yi</span><span class="o">.</span><span class="n">value</span> <span class="o">+</span> <span class="n">yi</span><span class="o">.</span><span class="n">dvalue</span> <span class="k">for</span> <span class="n">yi</span> <span class="ow">in</span> <span class="n">yplot</span><span class="p">])</span>
|
|
<span class="n">retval</span> <span class="o">=</span> <span class="p">(</span><span class="o">-</span><span class="n">fit_result</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">/</span> <span class="n">fit_result</span><span class="p">[</span><span class="mi">1</span><span class="p">])</span>
|
|
<span class="n">retval</span><span class="o">.</span><span class="n">gamma_method</span><span class="p">()</span>
|
|
<span class="n">ylim</span> <span class="o">=</span> <span class="n">ax0</span><span class="o">.</span><span class="n">get_ylim</span><span class="p">()</span>
|
|
<span class="n">ax0</span><span class="o">.</span><span class="n">fill_betweenx</span><span class="p">(</span><span class="n">ylim</span><span class="p">,</span> <span class="n">x1</span><span class="o">=</span><span class="n">retval</span><span class="o">.</span><span class="n">value</span> <span class="o">-</span> <span class="n">retval</span><span class="o">.</span><span class="n">dvalue</span><span class="p">,</span> <span class="n">x2</span><span class="o">=</span><span class="n">retval</span><span class="o">.</span><span class="n">value</span> <span class="o">+</span> <span class="n">retval</span><span class="o">.</span><span class="n">dvalue</span><span class="p">,</span> <span class="n">color</span><span class="o">=</span><span class="s1">'gray'</span><span class="p">,</span> <span class="n">alpha</span><span class="o">=</span><span class="mf">0.4</span><span class="p">)</span>
|
|
<span class="n">ax0</span><span class="o">.</span><span class="n">set_ylim</span><span class="p">(</span><span class="n">ylim</span><span class="p">)</span>
|
|
<span class="n">ax0</span><span class="o">.</span><span class="n">set_ylabel</span><span class="p">(</span><span class="sa">r</span><span class="s1">'$t^2 \langle E(t) \rangle - 0.3 $'</span><span class="p">)</span>
|
|
<span class="n">xlim</span> <span class="o">=</span> <span class="n">ax0</span><span class="o">.</span><span class="n">get_xlim</span><span class="p">()</span>
|
|
|
|
<span class="n">fit_res</span> <span class="o">=</span> <span class="p">[</span><span class="n">fit_result</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">+</span> <span class="n">fit_result</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">*</span> <span class="n">xi</span> <span class="k">for</span> <span class="n">xi</span> <span class="ow">in</span> <span class="n">x</span><span class="p">]</span>
|
|
<span class="n">residuals</span> <span class="o">=</span> <span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">([</span><span class="n">o</span><span class="o">.</span><span class="n">value</span> <span class="k">for</span> <span class="n">o</span> <span class="ow">in</span> <span class="n">y</span><span class="p">])</span> <span class="o">-</span> <span class="p">[</span><span class="n">o</span><span class="o">.</span><span class="n">value</span> <span class="k">for</span> <span class="n">o</span> <span class="ow">in</span> <span class="n">fit_res</span><span class="p">])</span> <span class="o">/</span> <span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">([</span><span class="n">o</span><span class="o">.</span><span class="n">dvalue</span> <span class="k">for</span> <span class="n">o</span> <span class="ow">in</span> <span class="n">y</span><span class="p">])</span>
|
|
<span class="n">ax1</span> <span class="o">=</span> <span class="n">plt</span><span class="o">.</span><span class="n">subplot</span><span class="p">(</span><span class="n">gs</span><span class="p">[</span><span class="mi">1</span><span class="p">])</span>
|
|
<span class="n">ax1</span><span class="o">.</span><span class="n">plot</span><span class="p">(</span><span class="n">x</span><span class="p">,</span> <span class="n">residuals</span><span class="p">,</span> <span class="s1">'ko'</span><span class="p">,</span> <span class="n">ls</span><span class="o">=</span><span class="s1">'none'</span><span class="p">,</span> <span class="n">markersize</span><span class="o">=</span><span class="mi">5</span><span class="p">)</span>
|
|
<span class="n">ax1</span><span class="o">.</span><span class="n">tick_params</span><span class="p">(</span><span class="n">direction</span><span class="o">=</span><span class="s1">'out'</span><span class="p">)</span>
|
|
<span class="n">ax1</span><span class="o">.</span><span class="n">tick_params</span><span class="p">(</span><span class="n">axis</span><span class="o">=</span><span class="s2">"x"</span><span class="p">,</span> <span class="n">bottom</span><span class="o">=</span><span class="kc">True</span><span class="p">,</span> <span class="n">top</span><span class="o">=</span><span class="kc">True</span><span class="p">,</span> <span class="n">labelbottom</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
|
|
<span class="n">ax1</span><span class="o">.</span><span class="n">axhline</span><span class="p">(</span><span class="n">y</span><span class="o">=</span><span class="mf">0.0</span><span class="p">,</span> <span class="n">ls</span><span class="o">=</span><span class="s1">'--'</span><span class="p">,</span> <span class="n">color</span><span class="o">=</span><span class="s1">'k'</span><span class="p">)</span>
|
|
<span class="n">ax1</span><span class="o">.</span><span class="n">fill_between</span><span class="p">(</span><span class="n">xlim</span><span class="p">,</span> <span class="o">-</span><span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="n">alpha</span><span class="o">=</span><span class="mf">0.1</span><span class="p">,</span> <span class="n">facecolor</span><span class="o">=</span><span class="s1">'k'</span><span class="p">)</span>
|
|
<span class="n">ax1</span><span class="o">.</span><span class="n">set_xlim</span><span class="p">(</span><span class="n">xlim</span><span class="p">)</span>
|
|
<span class="n">ax1</span><span class="o">.</span><span class="n">set_ylabel</span><span class="p">(</span><span class="s1">'Residuals'</span><span class="p">)</span>
|
|
<span class="n">ax1</span><span class="o">.</span><span class="n">set_xlabel</span><span class="p">(</span><span class="sa">r</span><span class="s1">'$t/a^2$'</span><span class="p">)</span>
|
|
|
|
<span class="n">plt</span><span class="o">.</span><span class="n">show</span><span class="p">()</span>
|
|
<span class="k">return</span> <span class="o">-</span><span class="n">fit_result</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">/</span> <span class="n">fit_result</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span>
|
|
</pre></div>
|
|
|
|
</details>
|
|
|
|
<div class="docstring"><p>Extract t0 from given .ms.dat files. Returns t0 as Obs.</p>
|
|
|
|
<p>It is assumed that all boundary effects have
|
|
sufficiently decayed at x0=xmin.
|
|
The data around the zero crossing of t^2<E> - 0.3
|
|
is fitted with a linear function
|
|
from which the exact root is extracted.</p>
|
|
|
|
<p>It is assumed that one measurement is performed for each config.
|
|
If this is not the case, the resulting idl, as well as the handling
|
|
of r_start, r_stop and r_step is wrong and the user has to correct
|
|
this in the resulting observable.</p>
|
|
|
|
<h6 id="parameters">Parameters</h6>
|
|
|
|
<ul>
|
|
<li><strong>path</strong> (str):
|
|
Path to .ms.dat files</li>
|
|
<li><strong>prefix</strong> (str):
|
|
Ensemble prefix</li>
|
|
<li><strong>dtr_read</strong> (int):
|
|
Determines how many trajectories should be skipped
|
|
when reading the ms.dat files.
|
|
Corresponds to dtr_cnfg / dtr_ms in the openQCD input file.</li>
|
|
<li><strong>xmin</strong> (int):
|
|
First timeslice where the boundary
|
|
effects have sufficiently decayed.</li>
|
|
<li><strong>spatial_extent</strong> (int):
|
|
spatial extent of the lattice, required for normalization.</li>
|
|
<li><strong>fit_range</strong> (int):
|
|
Number of data points left and right of the zero
|
|
crossing to be included in the linear fit. (Default: 5)</li>
|
|
<li><strong>r_start</strong> (list):
|
|
list which contains the first config to be read for each replicum.</li>
|
|
<li><strong>r_stop</strong> (list):
|
|
list which contains the last config to be read for each replicum.</li>
|
|
<li><strong>r_step</strong> (int):
|
|
integer that defines a fixed step size between two measurements (in units of configs)
|
|
If not given, r_step=1 is assumed.</li>
|
|
<li><strong>plaquette</strong> (bool):
|
|
If true extract the plaquette estimate of t0 instead.</li>
|
|
<li><strong>names</strong> (list):
|
|
list of names that is assigned to the data according according
|
|
to the order in the file list. Use careful, if you do not provide file names!</li>
|
|
<li><strong>files</strong> (list):
|
|
list which contains the filenames to be read. No automatic detection of
|
|
files performed if given.</li>
|
|
<li><strong>plot_fit</strong> (bool):
|
|
If true, the fit for the extraction of t0 is shown together with the data.</li>
|
|
<li><strong>assume_thermalization</strong> (bool):
|
|
If True: If the first record divided by the distance between two measurements is larger than
|
|
1, it is assumed that this is due to thermalization and the first measurement belongs
|
|
to the first config (default).
|
|
If False: The config numbers are assumed to be traj_number // difference</li>
|
|
</ul>
|
|
</div>
|
|
|
|
|
|
</section>
|
|
<section id="read_qtop">
|
|
<div class="attr function"><a class="headerlink" href="#read_qtop">#  </a>
|
|
|
|
|
|
<span class="def">def</span>
|
|
<span class="name">read_qtop</span><span class="signature">(path, prefix, c, dtr_cnfg=1, version='openQCD', **kwargs)</span>:
|
|
</div>
|
|
|
|
<details>
|
|
<summary>View Source</summary>
|
|
<div class="codehilite"><pre><span></span><span class="k">def</span> <span class="nf">read_qtop</span><span class="p">(</span><span class="n">path</span><span class="p">,</span> <span class="n">prefix</span><span class="p">,</span> <span class="n">c</span><span class="p">,</span> <span class="n">dtr_cnfg</span><span class="o">=</span><span class="mi">1</span><span class="p">,</span> <span class="n">version</span><span class="o">=</span><span class="s2">"openQCD"</span><span class="p">,</span> <span class="o">**</span><span class="n">kwargs</span><span class="p">):</span>
|
|
<span class="sd">"""Read the topologial charge based on openQCD gradient flow measurements.</span>
|
|
|
|
<span class="sd"> Parameters</span>
|
|
<span class="sd"> ----------</span>
|
|
<span class="sd"> path : str</span>
|
|
<span class="sd"> path of the measurement files</span>
|
|
<span class="sd"> prefix : str</span>
|
|
<span class="sd"> prefix of the measurement files, e.g. <prefix>_id0_r0.ms.dat.</span>
|
|
<span class="sd"> Ignored if file names are passed explicitly via keyword files.</span>
|
|
<span class="sd"> c : double</span>
|
|
<span class="sd"> Smearing radius in units of the lattice extent, c = sqrt(8 t0) / L.</span>
|
|
<span class="sd"> dtr_cnfg : int</span>
|
|
<span class="sd"> (optional) parameter that specifies the number of measurements</span>
|
|
<span class="sd"> between two configs.</span>
|
|
<span class="sd"> If it is not set, the distance between two measurements</span>
|
|
<span class="sd"> in the file is assumed to be the distance between two configurations.</span>
|
|
<span class="sd"> steps : int</span>
|
|
<span class="sd"> (optional) Distance between two configurations in units of trajectories /</span>
|
|
<span class="sd"> cycles. Assumed to be the distance between two measurements * dtr_cnfg if not given</span>
|
|
<span class="sd"> version : str</span>
|
|
<span class="sd"> Either openQCD or sfqcd, depending on the data.</span>
|
|
<span class="sd"> L : int</span>
|
|
<span class="sd"> spatial length of the lattice in L/a.</span>
|
|
<span class="sd"> HAS to be set if version != sfqcd, since openQCD does not provide</span>
|
|
<span class="sd"> this in the header</span>
|
|
<span class="sd"> r_start : list</span>
|
|
<span class="sd"> list which contains the first config to be read for each replicum.</span>
|
|
<span class="sd"> r_stop : list</span>
|
|
<span class="sd"> list which contains the last config to be read for each replicum.</span>
|
|
<span class="sd"> files : list</span>
|
|
<span class="sd"> specify the exact files that need to be read</span>
|
|
<span class="sd"> from path, practical if e.g. only one replicum is needed</span>
|
|
<span class="sd"> names : list</span>
|
|
<span class="sd"> Alternative labeling for replicas/ensembles.</span>
|
|
<span class="sd"> Has to have the appropriate length.</span>
|
|
<span class="sd"> Zeuthen_flow : bool</span>
|
|
<span class="sd"> (optional) If True, the Zeuthen flow is used for Qtop. Only possible</span>
|
|
<span class="sd"> for version=='sfqcd' If False, the Wilson flow is used.</span>
|
|
<span class="sd"> integer_charge : bool</span>
|
|
<span class="sd"> If True, the charge is rounded towards the nearest integer on each config.</span>
|
|
<span class="sd"> """</span>
|
|
<span class="n">known_versions</span> <span class="o">=</span> <span class="p">[</span><span class="s2">"openQCD"</span><span class="p">,</span> <span class="s2">"sfqcd"</span><span class="p">]</span>
|
|
|
|
<span class="k">if</span> <span class="n">version</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">known_versions</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"Unknown openQCD version."</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="s2">"steps"</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">steps</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"steps"</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="n">version</span> <span class="o">==</span> <span class="s2">"sfqcd"</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="s2">"L"</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">supposed_L</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"L"</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">supposed_L</span> <span class="o">=</span> <span class="kc">None</span>
|
|
<span class="n">postfix</span> <span class="o">=</span> <span class="s2">".gfms.dat"</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="s2">"L"</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"This version of openQCD needs you to provide the spatial length of the lattice as parameter 'L'."</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">L</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"L"</span><span class="p">)</span>
|
|
<span class="n">postfix</span> <span class="o">=</span> <span class="s2">".ms.dat"</span>
|
|
|
|
<span class="k">if</span> <span class="s2">"files"</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">files</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"files"</span><span class="p">)</span>
|
|
<span class="n">postfix</span> <span class="o">=</span> <span class="s1">''</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">found</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="n">files</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="p">(</span><span class="n">dirpath</span><span class="p">,</span> <span class="n">dirnames</span><span class="p">,</span> <span class="n">filenames</span><span class="p">)</span> <span class="ow">in</span> <span class="n">os</span><span class="o">.</span><span class="n">walk</span><span class="p">(</span><span class="n">path</span> <span class="o">+</span> <span class="s2">"/"</span><span class="p">):</span>
|
|
<span class="n">found</span><span class="o">.</span><span class="n">extend</span><span class="p">(</span><span class="n">filenames</span><span class="p">)</span>
|
|
<span class="k">break</span>
|
|
<span class="k">for</span> <span class="n">f</span> <span class="ow">in</span> <span class="n">found</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="n">fnmatch</span><span class="o">.</span><span class="n">fnmatch</span><span class="p">(</span><span class="n">f</span><span class="p">,</span> <span class="n">prefix</span> <span class="o">+</span> <span class="s2">"*"</span> <span class="o">+</span> <span class="n">postfix</span><span class="p">):</span>
|
|
<span class="n">files</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">f</span><span class="p">)</span>
|
|
|
|
<span class="k">if</span> <span class="s1">'r_start'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">r_start</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'r_start'</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">r_start</span><span class="p">)</span> <span class="o">!=</span> <span class="nb">len</span><span class="p">(</span><span class="n">files</span><span class="p">):</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'r_start does not match number of replicas'</span><span class="p">)</span>
|
|
<span class="n">r_start</span> <span class="o">=</span> <span class="p">[</span><span class="n">o</span> <span class="k">if</span> <span class="n">o</span> <span class="k">else</span> <span class="kc">None</span> <span class="k">for</span> <span class="n">o</span> <span class="ow">in</span> <span class="n">r_start</span><span class="p">]</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">r_start</span> <span class="o">=</span> <span class="p">[</span><span class="kc">None</span><span class="p">]</span> <span class="o">*</span> <span class="nb">len</span><span class="p">(</span><span class="n">files</span><span class="p">)</span>
|
|
|
|
<span class="k">if</span> <span class="s1">'r_stop'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">r_stop</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'r_stop'</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">r_stop</span><span class="p">)</span> <span class="o">!=</span> <span class="nb">len</span><span class="p">(</span><span class="n">files</span><span class="p">):</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'r_stop does not match number of replicas'</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">r_stop</span> <span class="o">=</span> <span class="p">[</span><span class="kc">None</span><span class="p">]</span> <span class="o">*</span> <span class="nb">len</span><span class="p">(</span><span class="n">files</span><span class="p">)</span>
|
|
<span class="n">rep_names</span> <span class="o">=</span> <span class="p">[]</span>
|
|
|
|
<span class="n">zeuthen</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'Zeuthen_flow'</span><span class="p">,</span> <span class="kc">False</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="n">zeuthen</span> <span class="ow">and</span> <span class="n">version</span> <span class="ow">not</span> <span class="ow">in</span> <span class="p">[</span><span class="s1">'sfqcd'</span><span class="p">]:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Zeuthen flow can only be used for version==sfqcd'</span><span class="p">)</span>
|
|
|
|
<span class="n">r_start_index</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="n">r_stop_index</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="n">deltas</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="n">configlist</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="n">rep</span><span class="p">,</span> <span class="n">file</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">files</span><span class="p">):</span>
|
|
<span class="k">with</span> <span class="nb">open</span><span class="p">(</span><span class="n">path</span> <span class="o">+</span> <span class="s2">"/"</span> <span class="o">+</span> <span class="n">file</span><span class="p">,</span> <span class="s2">"rb"</span><span class="p">)</span> <span class="k">as</span> <span class="n">fp</span><span class="p">:</span>
|
|
|
|
<span class="n">Q</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="n">traj_list</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">if</span> <span class="n">version</span> <span class="ow">in</span> <span class="p">[</span><span class="s1">'sfqcd'</span><span class="p">]:</span>
|
|
<span class="k">if</span> <span class="n">zeuthen</span><span class="p">:</span>
|
|
<span class="n">obspos</span> <span class="o">=</span> <span class="mi">0</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">obspos</span> <span class="o">=</span> <span class="mi">8</span>
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">12</span><span class="p">)</span>
|
|
<span class="n">header</span> <span class="o">=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'<iii'</span><span class="p">,</span> <span class="n">t</span><span class="p">)</span>
|
|
<span class="n">zthfl</span> <span class="o">=</span> <span class="n">header</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="c1"># Zeuthen flow -> if it's equal to 2 it means that the Zeuthen flow is also 'measured' (apart from the Wilson flow)</span>
|
|
<span class="n">ncs</span> <span class="o">=</span> <span class="n">header</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="c1"># number of different values for c in t_flow=1/8 c² L² -> measurements done for ncs c's</span>
|
|
<span class="n">tmax</span> <span class="o">=</span> <span class="n">header</span><span class="p">[</span><span class="mi">2</span><span class="p">]</span> <span class="c1"># lattice T/a</span>
|
|
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">12</span><span class="p">)</span>
|
|
<span class="n">Ls</span> <span class="o">=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'<iii'</span><span class="p">,</span> <span class="n">t</span><span class="p">)</span>
|
|
<span class="k">if</span><span class="p">(</span><span class="n">Ls</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">==</span> <span class="n">Ls</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="ow">and</span> <span class="n">Ls</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">==</span> <span class="n">Ls</span><span class="p">[</span><span class="mi">2</span><span class="p">]):</span>
|
|
<span class="n">L</span> <span class="o">=</span> <span class="n">Ls</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span>
|
|
<span class="k">if</span> <span class="ow">not</span> <span class="p">(</span><span class="n">supposed_L</span> <span class="o">==</span> <span class="n">L</span><span class="p">)</span> <span class="ow">and</span> <span class="n">supposed_L</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"It seems the length given in the header and by you contradict each other"</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"Found more than one spatial length in header!"</span><span class="p">)</span>
|
|
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">16</span><span class="p">)</span>
|
|
<span class="n">header2</span> <span class="o">=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'<dd'</span><span class="p">,</span> <span class="n">t</span><span class="p">)</span>
|
|
<span class="n">tol</span> <span class="o">=</span> <span class="n">header2</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span>
|
|
<span class="n">cmax</span> <span class="o">=</span> <span class="n">header2</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="c1"># highest value of c used</span>
|
|
|
|
<span class="k">if</span> <span class="n">c</span> <span class="o">></span> <span class="n">cmax</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Flow has been determined between c=0 and c=</span><span class="si">%lf</span><span class="s1"> with tolerance </span><span class="si">%lf</span><span class="s1">'</span> <span class="o">%</span> <span class="p">(</span><span class="n">cmax</span><span class="p">,</span> <span class="n">tol</span><span class="p">))</span>
|
|
|
|
<span class="k">if</span><span class="p">(</span><span class="n">zthfl</span> <span class="o">==</span> <span class="mi">2</span><span class="p">):</span>
|
|
<span class="n">nfl</span> <span class="o">=</span> <span class="mi">2</span> <span class="c1"># number of flows</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">nfl</span> <span class="o">=</span> <span class="mi">1</span>
|
|
<span class="n">iobs</span> <span class="o">=</span> <span class="mi">8</span> <span class="o">*</span> <span class="n">nfl</span> <span class="c1"># number of flow observables calculated</span>
|
|
|
|
<span class="k">while</span> <span class="mi">0</span> <span class="o"><</span> <span class="mi">1</span><span class="p">:</span>
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">4</span><span class="p">)</span>
|
|
<span class="k">if</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">t</span><span class="p">)</span> <span class="o"><</span> <span class="mi">4</span><span class="p">):</span>
|
|
<span class="k">break</span>
|
|
<span class="n">traj_list</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'i'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">])</span> <span class="c1"># trajectory number when measurement was done</span>
|
|
|
|
<span class="k">for</span> <span class="n">j</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">ncs</span> <span class="o">+</span> <span class="mi">1</span><span class="p">):</span>
|
|
<span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">iobs</span><span class="p">):</span>
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">8</span> <span class="o">*</span> <span class="n">tmax</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="p">(</span><span class="n">i</span> <span class="o">==</span> <span class="n">obspos</span><span class="p">):</span> <span class="c1"># determines the flow observable -> i=0 <-> Zeuthen flow</span>
|
|
<span class="n">Q</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'d'</span> <span class="o">*</span> <span class="n">tmax</span><span class="p">,</span> <span class="n">t</span><span class="p">))</span>
|
|
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">12</span><span class="p">)</span>
|
|
<span class="n">header</span> <span class="o">=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'<iii'</span><span class="p">,</span> <span class="n">t</span><span class="p">)</span>
|
|
<span class="c1"># step size in integration steps "dnms"</span>
|
|
<span class="n">dn</span> <span class="o">=</span> <span class="n">header</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span>
|
|
<span class="c1"># number of measurements, so "ntot"/dn</span>
|
|
<span class="n">nn</span> <span class="o">=</span> <span class="n">header</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span>
|
|
<span class="c1"># lattice T/a</span>
|
|
<span class="n">tmax</span> <span class="o">=</span> <span class="n">header</span><span class="p">[</span><span class="mi">2</span><span class="p">]</span>
|
|
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">8</span><span class="p">)</span>
|
|
<span class="n">eps</span> <span class="o">=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'d'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span>
|
|
|
|
<span class="k">while</span> <span class="mi">0</span> <span class="o"><</span> <span class="mi">1</span><span class="p">:</span>
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">4</span><span class="p">)</span>
|
|
<span class="k">if</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">t</span><span class="p">)</span> <span class="o"><</span> <span class="mi">4</span><span class="p">):</span>
|
|
<span class="k">break</span>
|
|
<span class="n">traj_list</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'i'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">])</span>
|
|
<span class="c1"># Wsl</span>
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">8</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">))</span>
|
|
<span class="c1"># Ysl</span>
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">8</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">))</span>
|
|
<span class="c1"># Qsl, which is asked for in this method</span>
|
|
<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">8</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">))</span>
|
|
<span class="c1"># unpack the array of Qtops,</span>
|
|
<span class="c1"># on each timeslice t=0,...,tmax-1 and the</span>
|
|
<span class="c1"># measurement number in = 0...nn (see README.qcd1)</span>
|
|
<span class="n">tmpd</span> <span class="o">=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'d'</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">),</span> <span class="n">t</span><span class="p">)</span>
|
|
<span class="n">Q</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">tmpd</span><span class="p">)</span>
|
|
|
|
<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">unique</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">diff</span><span class="p">(</span><span class="n">traj_list</span><span class="p">)))</span> <span class="o">!=</span> <span class="mi">1</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"Irregularities in stepsize found"</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="s1">'steps'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="n">steps</span> <span class="o">!=</span> <span class="n">traj_list</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">-</span> <span class="n">traj_list</span><span class="p">[</span><span class="mi">0</span><span class="p">]:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"steps and the found stepsize are not the same"</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">steps</span> <span class="o">=</span> <span class="n">traj_list</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">-</span> <span class="n">traj_list</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span>
|
|
|
|
<span class="n">configlist</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="n">tr</span> <span class="o">//</span> <span class="n">steps</span> <span class="o">//</span> <span class="n">dtr_cnfg</span> <span class="k">for</span> <span class="n">tr</span> <span class="ow">in</span> <span class="n">traj_list</span><span class="p">])</span>
|
|
<span class="k">if</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">></span> <span class="mi">1</span><span class="p">:</span>
|
|
<span class="n">offset</span> <span class="o">=</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">-</span> <span class="mi">1</span>
|
|
<span class="n">warnings</span><span class="o">.</span><span class="n">warn</span><span class="p">(</span><span class="s1">'Assume thermalization and that the first measurement belongs to the first config. Offset = </span><span class="si">%d</span><span class="s1"> configs (</span><span class="si">%d</span><span class="s1"> trajectories / cycles)'</span> <span class="o">%</span> <span class="p">(</span>
|
|
<span class="n">offset</span><span class="p">,</span> <span class="n">offset</span> <span class="o">*</span> <span class="n">steps</span><span class="p">))</span>
|
|
<span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="n">item</span> <span class="o">-</span> <span class="n">offset</span> <span class="k">for</span> <span class="n">item</span> <span class="ow">in</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]]</span>
|
|
|
|
<span class="k">if</span> <span class="n">r_start</span><span class="p">[</span><span class="n">rep</span><span class="p">]</span> <span class="ow">is</span> <span class="kc">None</span><span class="p">:</span>
|
|
<span class="n">r_start_index</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="mi">0</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">try</span><span class="p">:</span>
|
|
<span class="n">r_start_index</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="n">r_start</span><span class="p">[</span><span class="n">rep</span><span class="p">]))</span>
|
|
<span class="k">except</span> <span class="ne">ValueError</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Config </span><span class="si">%d</span><span class="s1"> not in file with range [</span><span class="si">%d</span><span class="s1">, </span><span class="si">%d</span><span class="s1">]'</span> <span class="o">%</span> <span class="p">(</span>
|
|
<span class="n">r_start</span><span class="p">[</span><span class="n">rep</span><span class="p">],</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">],</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="o">-</span><span class="mi">1</span><span class="p">]))</span> <span class="kn">from</span> <span class="bp">None</span>
|
|
|
|
<span class="k">if</span> <span class="n">r_stop</span><span class="p">[</span><span class="n">rep</span><span class="p">]</span> <span class="ow">is</span> <span class="kc">None</span><span class="p">:</span>
|
|
<span class="n">r_stop_index</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">])</span> <span class="o">-</span> <span class="mi">1</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">try</span><span class="p">:</span>
|
|
<span class="n">r_stop_index</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="n">r_stop</span><span class="p">[</span><span class="n">rep</span><span class="p">]))</span>
|
|
<span class="k">except</span> <span class="ne">ValueError</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Config </span><span class="si">%d</span><span class="s1"> not in file with range [</span><span class="si">%d</span><span class="s1">, </span><span class="si">%d</span><span class="s1">]'</span> <span class="o">%</span> <span class="p">(</span>
|
|
<span class="n">r_stop</span><span class="p">[</span><span class="n">rep</span><span class="p">],</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">],</span> <span class="n">configlist</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="o">-</span><span class="mi">1</span><span class="p">]))</span> <span class="kn">from</span> <span class="bp">None</span>
|
|
|
|
<span class="k">if</span> <span class="n">version</span> <span class="ow">in</span> <span class="p">[</span><span class="s1">'sfqcd'</span><span class="p">]:</span>
|
|
<span class="n">cstepsize</span> <span class="o">=</span> <span class="n">cmax</span> <span class="o">/</span> <span class="n">ncs</span>
|
|
<span class="n">index_aim</span> <span class="o">=</span> <span class="nb">round</span><span class="p">(</span><span class="n">c</span> <span class="o">/</span> <span class="n">cstepsize</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">t_aim</span> <span class="o">=</span> <span class="p">(</span><span class="n">c</span> <span class="o">*</span> <span class="n">L</span><span class="p">)</span> <span class="o">**</span> <span class="mi">2</span> <span class="o">/</span> <span class="mi">8</span>
|
|
<span class="n">index_aim</span> <span class="o">=</span> <span class="nb">round</span><span class="p">(</span><span class="n">t_aim</span> <span class="o">/</span> <span class="n">eps</span> <span class="o">/</span> <span class="n">dn</span><span class="p">)</span>
|
|
|
|
<span class="n">Q_sum</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="n">i</span><span class="p">,</span> <span class="n">item</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">Q</span><span class="p">):</span>
|
|
<span class="n">Q_sum</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="nb">sum</span><span class="p">(</span><span class="n">item</span><span class="p">[</span><span class="n">current</span><span class="p">:</span><span class="n">current</span> <span class="o">+</span> <span class="n">tmax</span><span class="p">])</span>
|
|
<span class="k">for</span> <span class="n">current</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="mi">0</span><span class="p">,</span> <span class="nb">len</span><span class="p">(</span><span class="n">item</span><span class="p">),</span> <span class="n">tmax</span><span class="p">)])</span>
|
|
<span class="n">Q_top</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">if</span> <span class="n">version</span> <span class="ow">in</span> <span class="p">[</span><span class="s1">'sfqcd'</span><span class="p">]:</span>
|
|
<span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">Q_sum</span><span class="p">)</span> <span class="o">//</span> <span class="p">(</span><span class="n">ncs</span> <span class="o">+</span> <span class="mi">1</span><span class="p">)):</span>
|
|
<span class="n">Q_top</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">Q_sum</span><span class="p">[</span><span class="n">i</span> <span class="o">*</span> <span class="p">(</span><span class="n">ncs</span> <span class="o">+</span> <span class="mi">1</span><span class="p">)</span> <span class="o">+</span> <span class="n">index_aim</span><span class="p">][</span><span class="mi">0</span><span class="p">])</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">Q</span><span class="p">)</span> <span class="o">//</span> <span class="n">dtr_cnfg</span><span class="p">):</span>
|
|
<span class="n">Q_top</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">Q_sum</span><span class="p">[</span><span class="n">dtr_cnfg</span> <span class="o">*</span> <span class="n">i</span><span class="p">][</span><span class="n">index_aim</span><span class="p">])</span>
|
|
<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">Q_top</span><span class="p">)</span> <span class="o">!=</span> <span class="nb">len</span><span class="p">(</span><span class="n">traj_list</span><span class="p">)</span> <span class="o">//</span> <span class="n">dtr_cnfg</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"qtops and traj_list dont have the same length"</span><span class="p">)</span>
|
|
|
|
<span class="k">if</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'integer_charge'</span><span class="p">,</span> <span class="kc">False</span><span class="p">):</span>
|
|
<span class="n">Q_top</span> <span class="o">=</span> <span class="p">[</span><span class="nb">round</span><span class="p">(</span><span class="n">q</span><span class="p">)</span> <span class="k">for</span> <span class="n">q</span> <span class="ow">in</span> <span class="n">Q_top</span><span class="p">]</span>
|
|
|
|
<span class="n">truncated_file</span> <span class="o">=</span> <span class="n">file</span><span class="p">[:</span><span class="o">-</span><span class="nb">len</span><span class="p">(</span><span class="n">postfix</span><span class="p">)]</span>
|
|
|
|
<span class="k">if</span> <span class="s2">"names"</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="k">try</span><span class="p">:</span>
|
|
<span class="n">idx</span> <span class="o">=</span> <span class="n">truncated_file</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="s1">'r'</span><span class="p">)</span>
|
|
<span class="k">except</span> <span class="ne">Exception</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="s2">"names"</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"Automatic recognition of replicum failed, please enter the key word 'names'."</span><span class="p">)</span>
|
|
<span class="n">ens_name</span> <span class="o">=</span> <span class="n">truncated_file</span><span class="p">[:</span><span class="n">idx</span><span class="p">]</span>
|
|
<span class="n">rep_names</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">ens_name</span> <span class="o">+</span> <span class="s1">'|'</span> <span class="o">+</span> <span class="n">truncated_file</span><span class="p">[</span><span class="n">idx</span><span class="p">:])</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">names</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"names"</span><span class="p">)</span>
|
|
<span class="n">rep_names</span> <span class="o">=</span> <span class="n">names</span>
|
|
<span class="n">deltas</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">Q_top</span><span class="p">)</span>
|
|
|
|
<span class="n">idl</span> <span class="o">=</span> <span class="p">[</span><span class="nb">range</span><span class="p">(</span><span class="nb">int</span><span class="p">(</span><span class="n">configlist</span><span class="p">[</span><span class="n">rep</span><span class="p">][</span><span class="n">r_start_index</span><span class="p">[</span><span class="n">rep</span><span class="p">]]),</span> <span class="nb">int</span><span class="p">(</span><span class="n">configlist</span><span class="p">[</span><span class="n">rep</span><span class="p">][</span><span class="n">r_stop_index</span><span class="p">[</span><span class="n">rep</span><span class="p">]])</span> <span class="o">+</span> <span class="mi">1</span><span class="p">,</span> <span class="mi">1</span><span class="p">)</span> <span class="k">for</span> <span class="n">rep</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">deltas</span><span class="p">))]</span>
|
|
<span class="n">deltas</span> <span class="o">=</span> <span class="p">[</span><span class="n">deltas</span><span class="p">[</span><span class="n">nrep</span><span class="p">][</span><span class="n">r_start_index</span><span class="p">[</span><span class="n">nrep</span><span class="p">]:</span><span class="n">r_stop_index</span><span class="p">[</span><span class="n">nrep</span><span class="p">]</span> <span class="o">+</span> <span class="mi">1</span><span class="p">]</span> <span class="k">for</span> <span class="n">nrep</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">deltas</span><span class="p">))]</span>
|
|
<span class="n">result</span> <span class="o">=</span> <span class="n">Obs</span><span class="p">(</span><span class="n">deltas</span><span class="p">,</span> <span class="n">rep_names</span><span class="p">,</span> <span class="n">idl</span><span class="o">=</span><span class="n">idl</span><span class="p">)</span>
|
|
<span class="k">return</span> <span class="n">result</span>
|
|
</pre></div>
|
|
|
|
</details>
|
|
|
|
<div class="docstring"><p>Read the topologial charge based on openQCD gradient flow measurements.</p>
|
|
|
|
<h6 id="parameters">Parameters</h6>
|
|
|
|
<ul>
|
|
<li><strong>path</strong> (str):
|
|
path of the measurement files</li>
|
|
<li><strong>prefix</strong> (str):
|
|
prefix of the measurement files, e.g. <prefix>_id0_r0.ms.dat.
|
|
Ignored if file names are passed explicitly via keyword files.</li>
|
|
<li><strong>c</strong> (double):
|
|
Smearing radius in units of the lattice extent, c = sqrt(8 t0) / L.</li>
|
|
<li><strong>dtr_cnfg</strong> (int):
|
|
(optional) parameter that specifies the number of measurements
|
|
between two configs.
|
|
If it is not set, the distance between two measurements
|
|
in the file is assumed to be the distance between two configurations.</li>
|
|
<li><strong>steps</strong> (int):
|
|
(optional) Distance between two configurations in units of trajectories /
|
|
cycles. Assumed to be the distance between two measurements * dtr_cnfg if not given</li>
|
|
<li><strong>version</strong> (str):
|
|
Either openQCD or sfqcd, depending on the data.</li>
|
|
<li><strong>L</strong> (int):
|
|
spatial length of the lattice in L/a.
|
|
HAS to be set if version != sfqcd, since openQCD does not provide
|
|
this in the header</li>
|
|
<li><strong>r_start</strong> (list):
|
|
list which contains the first config to be read for each replicum.</li>
|
|
<li><strong>r_stop</strong> (list):
|
|
list which contains the last config to be read for each replicum.</li>
|
|
<li><strong>files</strong> (list):
|
|
specify the exact files that need to be read
|
|
from path, practical if e.g. only one replicum is needed</li>
|
|
<li><strong>names</strong> (list):
|
|
Alternative labeling for replicas/ensembles.
|
|
Has to have the appropriate length.</li>
|
|
<li><strong>Zeuthen_flow</strong> (bool):
|
|
(optional) If True, the Zeuthen flow is used for Qtop. Only possible
|
|
for version=='sfqcd' If False, the Wilson flow is used.</li>
|
|
<li><strong>integer_charge</strong> (bool):
|
|
If True, the charge is rounded towards the nearest integer on each config.</li>
|
|
</ul>
|
|
</div>
|
|
|
|
|
|
</section>
|
|
<section id="qtop_projection">
|
|
<div class="attr function"><a class="headerlink" href="#qtop_projection">#  </a>
|
|
|
|
|
|
<span class="def">def</span>
|
|
<span class="name">qtop_projection</span><span class="signature">(qtop, target=0)</span>:
|
|
</div>
|
|
|
|
<details>
|
|
<summary>View Source</summary>
|
|
<div class="codehilite"><pre><span></span><span class="k">def</span> <span class="nf">qtop_projection</span><span class="p">(</span><span class="n">qtop</span><span class="p">,</span> <span class="n">target</span><span class="o">=</span><span class="mi">0</span><span class="p">):</span>
|
|
<span class="sd">"""Returns the projection to the topological charge sector defined by target.</span>
|
|
|
|
<span class="sd"> Parameters</span>
|
|
<span class="sd"> ----------</span>
|
|
<span class="sd"> path : Obs</span>
|
|
<span class="sd"> Topological charge, rounded to nearest integer on each config.</span>
|
|
<span class="sd"> target : int</span>
|
|
<span class="sd"> Specifies the topological sector to be reweighted to (default 0)</span>
|
|
<span class="sd"> """</span>
|
|
<span class="k">if</span> <span class="n">qtop</span><span class="o">.</span><span class="n">reweighted</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'You can not use a reweighted observable for reweighting!'</span><span class="p">)</span>
|
|
|
|
<span class="n">proj_qtop</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="n">n</span> <span class="ow">in</span> <span class="n">qtop</span><span class="o">.</span><span class="n">deltas</span><span class="p">:</span>
|
|
<span class="n">proj_qtop</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">([</span><span class="mi">1</span> <span class="k">if</span> <span class="nb">int</span><span class="p">(</span><span class="n">qtop</span><span class="o">.</span><span class="n">value</span> <span class="o">+</span> <span class="n">q</span><span class="p">)</span> <span class="o">==</span> <span class="n">target</span> <span class="k">else</span> <span class="mi">0</span> <span class="k">for</span> <span class="n">q</span> <span class="ow">in</span> <span class="n">qtop</span><span class="o">.</span><span class="n">deltas</span><span class="p">[</span><span class="n">n</span><span class="p">]]))</span>
|
|
|
|
<span class="n">reto</span> <span class="o">=</span> <span class="n">Obs</span><span class="p">(</span><span class="n">proj_qtop</span><span class="p">,</span> <span class="n">qtop</span><span class="o">.</span><span class="n">names</span><span class="p">,</span> <span class="n">idl</span><span class="o">=</span><span class="p">[</span><span class="n">qtop</span><span class="o">.</span><span class="n">idl</span><span class="p">[</span><span class="n">name</span><span class="p">]</span> <span class="k">for</span> <span class="n">name</span> <span class="ow">in</span> <span class="n">qtop</span><span class="o">.</span><span class="n">names</span><span class="p">])</span>
|
|
<span class="n">reto</span><span class="o">.</span><span class="n">is_merged</span> <span class="o">=</span> <span class="n">qtop</span><span class="o">.</span><span class="n">is_merged</span>
|
|
<span class="k">return</span> <span class="n">reto</span>
|
|
</pre></div>
|
|
|
|
</details>
|
|
|
|
<div class="docstring"><p>Returns the projection to the topological charge sector defined by target.</p>
|
|
|
|
<h6 id="parameters">Parameters</h6>
|
|
|
|
<ul>
|
|
<li><strong>path</strong> (Obs):
|
|
Topological charge, rounded to nearest integer on each config.</li>
|
|
<li><strong>target</strong> (int):
|
|
Specifies the topological sector to be reweighted to (default 0)</li>
|
|
</ul>
|
|
</div>
|
|
|
|
|
|
</section>
|
|
<section id="read_qtop_sector">
|
|
<div class="attr function"><a class="headerlink" href="#read_qtop_sector">#  </a>
|
|
|
|
|
|
<span class="def">def</span>
|
|
<span class="name">read_qtop_sector</span><span class="signature">(path, prefix, c, target=0, **kwargs)</span>:
|
|
</div>
|
|
|
|
<details>
|
|
<summary>View Source</summary>
|
|
<div class="codehilite"><pre><span></span><span class="k">def</span> <span class="nf">read_qtop_sector</span><span class="p">(</span><span class="n">path</span><span class="p">,</span> <span class="n">prefix</span><span class="p">,</span> <span class="n">c</span><span class="p">,</span> <span class="n">target</span><span class="o">=</span><span class="mi">0</span><span class="p">,</span> <span class="o">**</span><span class="n">kwargs</span><span class="p">):</span>
|
|
<span class="sd">"""Constructs reweighting factors to a specified topological sector.</span>
|
|
|
|
<span class="sd"> Parameters</span>
|
|
<span class="sd"> ----------</span>
|
|
<span class="sd"> path : str</span>
|
|
<span class="sd"> path of the measurement files</span>
|
|
<span class="sd"> prefix : str</span>
|
|
<span class="sd"> prefix of the measurement files, e.g. <prefix>_id0_r0.ms.dat</span>
|
|
<span class="sd"> c : double</span>
|
|
<span class="sd"> Smearing radius in units of the lattice extent, c = sqrt(8 t0) / L</span>
|
|
<span class="sd"> target : int</span>
|
|
<span class="sd"> Specifies the topological sector to be reweighted to (default 0)</span>
|
|
<span class="sd"> dtr_cnfg : int</span>
|
|
<span class="sd"> (optional) parameter that specifies the number of trajectories</span>
|
|
<span class="sd"> between two configs.</span>
|
|
<span class="sd"> if it is not set, the distance between two measurements</span>
|
|
<span class="sd"> in the file is assumed to be the distance between two configurations.</span>
|
|
<span class="sd"> steps : int</span>
|
|
<span class="sd"> (optional) Distance between two configurations in units of trajectories /</span>
|
|
<span class="sd"> cycles. Assumed to be the distance between two measurements * dtr_cnfg if not given</span>
|
|
<span class="sd"> version : str</span>
|
|
<span class="sd"> version string of the openQCD (sfqcd) version used to create</span>
|
|
<span class="sd"> the ensemble. Default is 2.0. May also be set to sfqcd.</span>
|
|
<span class="sd"> L : int</span>
|
|
<span class="sd"> spatial length of the lattice in L/a.</span>
|
|
<span class="sd"> HAS to be set if version != sfqcd, since openQCD does not provide</span>
|
|
<span class="sd"> this in the header</span>
|
|
<span class="sd"> r_start : list</span>
|
|
<span class="sd"> offset of the first ensemble, making it easier to match</span>
|
|
<span class="sd"> later on with other Obs</span>
|
|
<span class="sd"> r_stop : list</span>
|
|
<span class="sd"> last configurations that need to be read (per replicum)</span>
|
|
<span class="sd"> files : list</span>
|
|
<span class="sd"> specify the exact files that need to be read</span>
|
|
<span class="sd"> from path, practical if e.g. only one replicum is needed</span>
|
|
<span class="sd"> names : list</span>
|
|
<span class="sd"> Alternative labeling for replicas/ensembles.</span>
|
|
<span class="sd"> Has to have the appropriate length</span>
|
|
<span class="sd"> Zeuthen_flow : bool</span>
|
|
<span class="sd"> (optional) If True, the Zeuthen flow is used for Qtop. Only possible</span>
|
|
<span class="sd"> for version=='sfqcd' If False, the Wilson flow is used.</span>
|
|
<span class="sd"> """</span>
|
|
|
|
<span class="k">if</span> <span class="ow">not</span> <span class="nb">isinstance</span><span class="p">(</span><span class="n">target</span><span class="p">,</span> <span class="nb">int</span><span class="p">):</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"'target' has to be an integer."</span><span class="p">)</span>
|
|
|
|
<span class="n">kwargs</span><span class="p">[</span><span class="s1">'integer_charge'</span><span class="p">]</span> <span class="o">=</span> <span class="kc">True</span>
|
|
<span class="n">qtop</span> <span class="o">=</span> <span class="n">read_qtop</span><span class="p">(</span><span class="n">path</span><span class="p">,</span> <span class="n">prefix</span><span class="p">,</span> <span class="n">c</span><span class="p">,</span> <span class="o">**</span><span class="n">kwargs</span><span class="p">)</span>
|
|
|
|
<span class="k">return</span> <span class="n">qtop_projection</span><span class="p">(</span><span class="n">qtop</span><span class="p">,</span> <span class="n">target</span><span class="o">=</span><span class="n">target</span><span class="p">)</span>
|
|
</pre></div>
|
|
|
|
</details>
|
|
|
|
<div class="docstring"><p>Constructs reweighting factors to a specified topological sector.</p>
|
|
|
|
<h6 id="parameters">Parameters</h6>
|
|
|
|
<ul>
|
|
<li><strong>path</strong> (str):
|
|
path of the measurement files</li>
|
|
<li><strong>prefix</strong> (str):
|
|
prefix of the measurement files, e.g. <prefix>_id0_r0.ms.dat</li>
|
|
<li><strong>c</strong> (double):
|
|
Smearing radius in units of the lattice extent, c = sqrt(8 t0) / L</li>
|
|
<li><strong>target</strong> (int):
|
|
Specifies the topological sector to be reweighted to (default 0)</li>
|
|
<li><strong>dtr_cnfg</strong> (int):
|
|
(optional) parameter that specifies the number of trajectories
|
|
between two configs.
|
|
if it is not set, the distance between two measurements
|
|
in the file is assumed to be the distance between two configurations.</li>
|
|
<li><strong>steps</strong> (int):
|
|
(optional) Distance between two configurations in units of trajectories /
|
|
cycles. Assumed to be the distance between two measurements * dtr_cnfg if not given</li>
|
|
<li><strong>version</strong> (str):
|
|
version string of the openQCD (sfqcd) version used to create
|
|
the ensemble. Default is 2.0. May also be set to sfqcd.</li>
|
|
<li><strong>L</strong> (int):
|
|
spatial length of the lattice in L/a.
|
|
HAS to be set if version != sfqcd, since openQCD does not provide
|
|
this in the header</li>
|
|
<li><strong>r_start</strong> (list):
|
|
offset of the first ensemble, making it easier to match
|
|
later on with other Obs</li>
|
|
<li><strong>r_stop</strong> (list):
|
|
last configurations that need to be read (per replicum)</li>
|
|
<li><strong>files</strong> (list):
|
|
specify the exact files that need to be read
|
|
from path, practical if e.g. only one replicum is needed</li>
|
|
<li><strong>names</strong> (list):
|
|
Alternative labeling for replicas/ensembles.
|
|
Has to have the appropriate length</li>
|
|
<li><strong>Zeuthen_flow</strong> (bool):
|
|
(optional) If True, the Zeuthen flow is used for Qtop. Only possible
|
|
for version=='sfqcd' If False, the Wilson flow is used.</li>
|
|
</ul>
|
|
</div>
|
|
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