Documentation updated

This commit is contained in:
fjosw 2022-02-04 09:28:25 +00:00
parent e83a0e41e3
commit 98b478b100
2 changed files with 183 additions and 44 deletions

View file

@ -83,6 +83,7 @@
<span class="kn">import</span> <span class="nn">re</span>
<span class="kn">import</span> <span class="nn">struct</span>
<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>
<span class="kn">import</span> <span class="nn">warnings</span>
<span class="kn">import</span> <span class="nn">matplotlib.pyplot</span> <span class="k">as</span> <span class="nn">plt</span>
<span class="kn">from</span> <span class="nn">matplotlib</span> <span class="kn">import</span> <span class="n">gridspec</span>
<span class="kn">from</span> <span class="nn">..obs</span> <span class="kn">import</span> <span class="n">Obs</span>
@ -149,8 +150,7 @@
<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">&#39;r_start&#39;</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">&#39;r_start does not match number of replicas&#39;</span><span class="p">)</span>
<span class="c1"># Adjust Configuration numbering to python index</span>
<span class="n">r_start</span> <span class="o">=</span> <span class="p">[</span><span class="n">o</span> <span class="o">-</span> <span class="mi">1</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="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>
@ -185,6 +185,10 @@
<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">&#39;/&#39;</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">&#39;rb&#39;</span><span class="p">)</span> <span class="k">as</span> <span class="n">fp</span><span class="p">:</span>
@ -221,15 +225,13 @@
<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">&#39;i&#39;</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">&#39;something is wrong!&#39;</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</span><span class="p">[</span><span class="n">rep</span><span class="p">]</span> <span class="o">=</span> <span class="mi">0</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">&lt;</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">&lt;</span> <span class="mi">4</span><span class="p">:</span>
<span class="k">break</span>
<span class="k">if</span> <span class="n">print_err</span><span class="p">:</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">&#39;i&#39;</span><span class="p">,</span> <span class="n">t</span><span class="p">)</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">&#39;i&#39;</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">&#39;2.0&#39;</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>
@ -259,14 +261,37 @@
<span class="nb">print</span><span class="p">(</span><span class="s1">&#39;Sources:&#39;</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">&#39;Partial factor:&#39;</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="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">&#39;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">]&#39;</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</span><span class="p">[</span><span class="n">rep</span><span class="p">]</span> <span class="o">=</span> <span class="nb">len</span><span class="p">(</span><span class="n">tmp_array</span><span class="p">[</span><span class="mi">0</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">&#39;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">]&#39;</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</span><span class="p">[</span><span class="n">rep</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">r_step</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="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">&#39;Irregular spaced data in input file!&#39;</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">&#39;Stepsize between configurations is greater than one!&#39;</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">&#39;,&#39;</span><span class="p">,</span> <span class="n">nrw</span><span class="p">,</span> <span class="s1">&#39;reweighting factors with&#39;</span><span class="p">,</span> <span class="n">nsrc</span><span class="p">,</span> <span class="s1">&#39;sources&#39;</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">r_start</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_stop</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">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="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>
@ -281,7 +306,12 @@
<span class="sd"> The data around the zero crossing of t^2&lt;E&gt; - 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"> Only works with openQCD v 1.2.</span>
<span class="sd"> Only works with openQCD</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>
@ -318,6 +348,11 @@
<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"> &quot;&quot;&quot;</span>
<span class="n">ls</span> <span class="o">=</span> <span class="p">[]</span>
@ -342,7 +377,7 @@
<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">&#39;r_start&#39;</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">&#39;r_start does not match number of replicas&#39;</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="o">-</span> <span class="mi">1</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="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>
@ -371,6 +406,10 @@
<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">&#39;/&#39;</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">&#39;rb&#39;</span><span class="p">)</span> <span class="k">as</span> <span class="n">fp</span><span class="p">:</span>
@ -392,15 +431,13 @@
<span class="n">Ysl</span> <span class="o">=</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</span><span class="p">[</span><span class="n">rep</span><span class="p">]</span> <span class="o">=</span> <span class="mi">0</span>
<span class="n">cfgcount</span> <span class="o">=</span> <span class="o">-</span><span class="mi">1</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">&lt;</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">&lt;</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">&#39;i&#39;</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">&#39;plaquette&#39;</span><span class="p">):</span>
@ -412,16 +449,44 @@
<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">&#39;d&#39;</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">cfgcount</span> <span class="o">+=</span> <span class="mi">1</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</span><span class="p">[</span><span class="n">rep</span><span class="p">]</span> <span class="o">=</span> <span class="n">cfgcount</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">idl</span> <span class="o">=</span> <span class="p">[</span><span class="nb">range</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="o">+</span> <span class="mi">1</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="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="nb">len</span><span class="p">(</span><span class="n">r_start</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">&#39;assume_thermalization&#39;</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">&gt;</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">&#39;Assume thermalization and that the first measurement belongs to the first config.&#39;</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">&#39;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">]&#39;</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">&#39;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">]&#39;</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">&#39;Irregular spaced data in input file!&#39;</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">&#39;Stepsize between configurations is greater than one!&#39;</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="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>
@ -429,7 +494,7 @@
<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</span><span class="p">[</span><span class="n">nrep</span><span class="p">]:</span><span class="n">r_stop</span><span class="p">[</span><span class="n">nrep</span><span class="p">]][::</span><span class="n">r_step</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="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>
@ -835,8 +900,7 @@
<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">&#39;r_start&#39;</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">&#39;r_start does not match number of replicas&#39;</span><span class="p">)</span>
<span class="c1"># Adjust Configuration numbering to python index</span>
<span class="n">r_start</span> <span class="o">=</span> <span class="p">[</span><span class="n">o</span> <span class="o">-</span> <span class="mi">1</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="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>
@ -871,6 +935,10 @@
<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">&#39;/&#39;</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">&#39;rb&#39;</span><span class="p">)</span> <span class="k">as</span> <span class="n">fp</span><span class="p">:</span>
@ -907,15 +975,13 @@
<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">&#39;i&#39;</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">&#39;something is wrong!&#39;</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</span><span class="p">[</span><span class="n">rep</span><span class="p">]</span> <span class="o">=</span> <span class="mi">0</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">&lt;</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">&lt;</span> <span class="mi">4</span><span class="p">:</span>
<span class="k">break</span>
<span class="k">if</span> <span class="n">print_err</span><span class="p">:</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">&#39;i&#39;</span><span class="p">,</span> <span class="n">t</span><span class="p">)</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">&#39;i&#39;</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">&#39;2.0&#39;</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>
@ -945,14 +1011,37 @@
<span class="nb">print</span><span class="p">(</span><span class="s1">&#39;Sources:&#39;</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">&#39;Partial factor:&#39;</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="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">&#39;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">]&#39;</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</span><span class="p">[</span><span class="n">rep</span><span class="p">]</span> <span class="o">=</span> <span class="nb">len</span><span class="p">(</span><span class="n">tmp_array</span><span class="p">[</span><span class="mi">0</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">&#39;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">]&#39;</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</span><span class="p">[</span><span class="n">rep</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">r_step</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="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">&#39;Irregular spaced data in input file!&#39;</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">&#39;Stepsize between configurations is greater than one!&#39;</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">&#39;,&#39;</span><span class="p">,</span> <span class="n">nrw</span><span class="p">,</span> <span class="s1">&#39;reweighting factors with&#39;</span><span class="p">,</span> <span class="n">nsrc</span><span class="p">,</span> <span class="s1">&#39;sources&#39;</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">r_start</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_stop</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">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="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>
@ -1014,7 +1103,12 @@ Print additional information that is useful for debugging.</li>
<span class="sd"> The data around the zero crossing of t^2&lt;E&gt; - 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"> Only works with openQCD v 1.2.</span>
<span class="sd"> Only works with openQCD</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>
@ -1051,6 +1145,11 @@ Print additional information that is useful for debugging.</li>
<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"> &quot;&quot;&quot;</span>
<span class="n">ls</span> <span class="o">=</span> <span class="p">[]</span>
@ -1075,7 +1174,7 @@ Print additional information that is useful for debugging.</li>
<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">&#39;r_start&#39;</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">&#39;r_start does not match number of replicas&#39;</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="o">-</span> <span class="mi">1</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="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>
@ -1104,6 +1203,10 @@ Print additional information that is useful for debugging.</li>
<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">&#39;/&#39;</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">&#39;rb&#39;</span><span class="p">)</span> <span class="k">as</span> <span class="n">fp</span><span class="p">:</span>
@ -1125,15 +1228,13 @@ Print additional information that is useful for debugging.</li>
<span class="n">Ysl</span> <span class="o">=</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</span><span class="p">[</span><span class="n">rep</span><span class="p">]</span> <span class="o">=</span> <span class="mi">0</span>
<span class="n">cfgcount</span> <span class="o">=</span> <span class="o">-</span><span class="mi">1</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">&lt;</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">&lt;</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">&#39;i&#39;</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">&#39;plaquette&#39;</span><span class="p">):</span>
@ -1145,16 +1246,44 @@ Print additional information that is useful for debugging.</li>
<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">&#39;d&#39;</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">cfgcount</span> <span class="o">+=</span> <span class="mi">1</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</span><span class="p">[</span><span class="n">rep</span><span class="p">]</span> <span class="o">=</span> <span class="n">cfgcount</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">idl</span> <span class="o">=</span> <span class="p">[</span><span class="nb">range</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="o">+</span> <span class="mi">1</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="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="nb">len</span><span class="p">(</span><span class="n">r_start</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">&#39;assume_thermalization&#39;</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">&gt;</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">&#39;Assume thermalization and that the first measurement belongs to the first config.&#39;</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">&#39;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">]&#39;</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">&#39;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">]&#39;</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">&#39;Irregular spaced data in input file!&#39;</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">&#39;Stepsize between configurations is greater than one!&#39;</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="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>
@ -1162,7 +1291,7 @@ Print additional information that is useful for debugging.</li>
<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</span><span class="p">[</span><span class="n">nrep</span><span class="p">]:</span><span class="n">r_stop</span><span class="p">[</span><span class="n">nrep</span><span class="p">]][::</span><span class="n">r_step</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="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>
@ -1222,7 +1351,12 @@ 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.
Only works with openQCD v 1.2.</p>
Only works with openQCD</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>
@ -1260,6 +1394,11 @@ 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>

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