mirror of
https://github.com/fjosw/pyerrors.git
synced 2025-03-15 14:50:25 +01:00
Rewritten large parts of Qtop routines, making it compatible with sfqcd
This commit is contained in:
Simon Kuberski
parent
65568c84a4
commit
aadf9cf32f
1 changed files with 298 additions and 201 deletions
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@ -217,8 +217,7 @@ def read_rwms(path, prefix, version='2.0', names=None, **kwargs):
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return result
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def extract_t0(path, prefix, dtr_read, xmin,
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spatial_extent, fit_range=5, **kwargs):
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def extract_t0(path, prefix, dtr_read, xmin, spatial_extent, fit_range=5, **kwargs):
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"""Extract t0 from given .ms.dat files. Returns t0 as Obs.
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It is assumed that all boundary effects have
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@ -226,7 +225,6 @@ def extract_t0(path, prefix, dtr_read, xmin,
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The data around the zero crossing of t^2<E> - 0.3
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is fitted with a linear function
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from which the exact root is extracted.
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Only works with openQCD
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It is assumed that one measurement is performed for each config.
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If this is not the case, the resulting idl, as well as the handling
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@ -510,8 +508,289 @@ def _read_array_openQCD2(fp):
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return {'d': d, 'n': n, 'size': size, 'arr': arr}
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def read_qtop(path, prefix, c, dtr_cnfg=1, version="1.2", **kwargs):
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"""Read qtop format from given folder structure.
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def read_qtop(path, prefix, c, dtr_cnfg=1, version="openQCD", **kwargs):
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"""Read the topologial charge based on openQCD gradient flow measurements.
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Parameters
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----------
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path : str
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path of the measurement files
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prefix : str
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prefix of the measurement files, e.g. <prefix>_id0_r0.ms.dat.
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Ignored if file names are passed explicitly via keyword files.
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c : double
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Smearing radius in units of the lattice extent, c = sqrt(8 t0) / L.
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dtr_cnfg : int
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(optional) parameter that specifies the number of measurements
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between two configs.
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If it is not set, the distance between two measurements
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in the file is assumed to be the distance between two configurations.
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steps : int
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(optional) Distance between two configurations in units of trajectories /
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cycles. Assumed to be the distance between two measurements * dtr_cnfg if not given
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version : str
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Either openQCD or sfqcd, depending on the data.
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L : int
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spatial length of the lattice in L/a.
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HAS to be set if version != sfqcd, since openQCD does not provide
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this in the header
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r_start : list
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list which contains the first config to be read for each replicum.
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r_stop : list
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list which contains the last config to be read for each replicum.
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files : list
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specify the exact files that need to be read
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from path, practical if e.g. only one replicum is needed
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names : list
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Alternative labeling for replicas/ensembles.
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Has to have the appropriate length.
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Zeuthen_flow : bool
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(optional) If True, the Zeuthen flow is used for Qtop. Only possible
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for version=='sfqcd' If False, the Wilson flow is used.
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integer_charge : bool
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If True, the charge is rounded towards the nearest integer on each config.
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"""
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known_versions = ["openQCD", "sfqcd"]
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if version not in known_versions:
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raise Exception("Unknown openQCD version.")
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if "steps" in kwargs:
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steps = kwargs.get("steps")
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if version == "sfqcd":
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if "L" in kwargs:
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supposed_L = kwargs.get("L")
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else:
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supposed_L = None
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postfix = ".gfms.dat"
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else:
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if "L" not in kwargs:
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raise Exception("This version of openQCD needs you to provide the spatial length of the lattice as parameter 'L'.")
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else:
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L = kwargs.get("L")
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postfix = ".ms.dat"
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if "files" in kwargs:
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files = kwargs.get("files")
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postfix = ''
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else:
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found = []
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files = []
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for (dirpath, dirnames, filenames) in os.walk(path + "/"):
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# print(filenames)
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found.extend(filenames)
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break
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for f in found:
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if fnmatch.fnmatch(f, prefix + "*" + postfix):
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files.append(f)
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if 'r_start' in kwargs:
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r_start = kwargs.get('r_start')
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if len(r_start) != len(files):
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raise Exception('r_start does not match number of replicas')
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r_start = [o if o else None for o in r_start]
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else:
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r_start = [None] * len(files)
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if 'r_stop' in kwargs:
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r_stop = kwargs.get('r_stop')
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if len(r_stop) != len(files):
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raise Exception('r_stop does not match number of replicas')
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else:
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r_stop = [None] * len(files)
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rep_names = []
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zeuthen = kwargs.get('Zeuthen_flow', False)
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if zeuthen and version not in ['sfqcd']:
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raise Exception('Zeuthen flow can only be used for version==sfqcd')
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r_start_index = []
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r_stop_index = []
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deltas = []
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configlist = []
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for rep, file in enumerate(files):
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with open(path + "/" + file, "rb") as fp:
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Q = []
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traj_list = []
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if version in ['sfqcd']:
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if zeuthen:
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obspos = 0
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else:
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obspos = 8
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t = fp.read(12)
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header = struct.unpack('<iii', t)
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zthfl = header[0] # Zeuthen flow -> if it's equal to 2 it means that the Zeuthen flow is also 'measured' (apart from the Wilson flow)
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ncs = header[1] # number of different values for c in t_flow=1/8 c² L² -> measurements done for ncs c's
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tmax = header[2] # lattice T/a
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t = fp.read(12)
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Ls = struct.unpack('<iii', t)
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if(Ls[0] == Ls[1] and Ls[1] == Ls[2]):
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L = Ls[0]
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if not (supposed_L == L) and supposed_L:
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raise Exception("It seems the length given in the header and by you contradict each other")
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else:
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raise Exception("Found more than one spatial length in header!")
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t = fp.read(16)
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header2 = struct.unpack('<dd', t)
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tol = header2[0]
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cmax = header2[1] # highest value of c used
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if c > cmax:
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raise Exception('Flow has been determined between c=0 and c=%lf with tolerance %lf' % (cmax, tol))
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if(zthfl == 2):
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nfl = 2 # number of flows
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else:
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nfl = 1
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iobs = 8 * nfl # number of flow observables calculated
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while 0 < 1:
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t = fp.read(4)
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if(len(t) < 4):
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break
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traj_list.append(struct.unpack('i', t)[0]) # trajectory number when measurement was done
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for j in range(ncs + 1):
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for i in range(iobs):
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t = fp.read(8 * tmax)
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if (i == obspos): # determines the flow observable -> i=0 <-> Zeuthen flow
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Q.append(struct.unpack('d' * tmax, t))
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else:
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t = fp.read(12)
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header = struct.unpack('<iii', t)
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# step size in integration steps "dnms"
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dn = header[0]
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# number of measurements, so "ntot"/dn
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nn = header[1]
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# lattice T/a
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tmax = header[2]
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t = fp.read(8)
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eps = struct.unpack('d', t)[0]
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while 0 < 1:
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t = fp.read(4)
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if(len(t) < 4):
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break
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traj_list.append(struct.unpack('i', t)[0])
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# Wsl
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t = fp.read(8 * tmax * (nn + 1))
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# Ysl
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t = fp.read(8 * tmax * (nn + 1))
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# Qsl, which is asked for in this method
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t = fp.read(8 * tmax * (nn + 1))
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# unpack the array of Qtops,
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# on each timeslice t=0,...,tmax-1 and the
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# measurement number in = 0...nn (see README.qcd1)
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tmpd = struct.unpack('d' * tmax * (nn + 1), t)
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Q.append(tmpd)
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if len(np.unique(np.diff(traj_list))) != 1:
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raise Exception("Irregularities in stepsize found")
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else:
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if 'steps' in kwargs:
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if steps != traj_list[1] - traj_list[0]:
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raise Exception("steps and the found stepsize are not the same")
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else:
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steps = traj_list[1] - traj_list[0]
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configlist.append([tr // steps / dtr_cnfg for tr in traj_list])
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if configlist[-1][0] > 1:
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offset = configlist[-1][0] - 1
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warnings.warn('Assume thermalization and that the first measurement belongs to the first config. Offset = %d configs (%d trajectories / cycles)' % (
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offset, offset * steps))
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configlist[-1] = [item - offset for item in configlist[-1]]
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if r_start[rep] is None:
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r_start_index.append(0)
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else:
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try:
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r_start_index.append(configlist[-1].index(r_start[rep]))
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except ValueError:
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raise Exception('Config %d not in file with range [%d, %d]' % (
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r_start[rep], configlist[-1][0], configlist[-1][-1])) from None
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if r_stop[rep] is None:
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r_stop_index.append(len(configlist[-1]) - 1)
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else:
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try:
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r_stop_index.append(configlist[-1].index(r_stop[rep]))
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except ValueError:
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raise Exception('Config %d not in file with range [%d, %d]' % (
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r_stop[rep], configlist[-1][0], configlist[-1][-1])) from None
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if version in ['sfqcd']:
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cstepsize = cmax / ncs
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index_aim = round(c / cstepsize)
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else:
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t_aim = (c * L) ** 2 / 8
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index_aim = round(t_aim / eps / dn)
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Q_sum = []
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for i, item in enumerate(Q):
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Q_sum.append([sum(item[current:current + tmax])
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for current in range(0, len(item), tmax)])
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Q_top = []
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if version in ['sfqcd']:
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for i in range(len(Q_sum) // (ncs + 1)):
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Q_top.append(Q_sum[i * (ncs + 1) + index_aim][0])
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else:
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for i in range(len(Q) // dtr_cnfg):
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Q_top.append(Q_sum[dtr_cnfg * i][index_aim])
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if len(Q_top) != len(traj_list) // dtr_cnfg:
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raise Exception("qtops and traj_list dont have the same length")
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if kwargs.get('integer_charge', False):
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Q_top = [round(q) for q in Q_top]
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truncated_file = file[:-len(postfix)]
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if "names" not in kwargs:
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try:
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idx = truncated_file.index('r')
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except Exception:
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if "names" not in kwargs:
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raise Exception("Automatic recognition of replicum failed, please enter the key word 'names'.")
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ens_name = truncated_file[:idx]
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rep_names.append(ens_name + '|' + truncated_file[idx:])
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else:
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names = kwargs.get("names")
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rep_names = names
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deltas.append(Q_top)
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idl = [range(int(configlist[rep][r_start_index[rep]]), int(configlist[rep][r_stop_index[rep]]), 1) for rep in range(len(deltas))]
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deltas = [deltas[nrep][r_start_index[nrep]:r_stop_index[nrep]] for nrep in range(len(deltas))]
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result = Obs(deltas, rep_names, idl=idl)
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return result
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def qtop_projection(qtop, target=0):
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"""Returns the projection to the topological charge sector defined by target.
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Parameters
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----------
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path : Obs
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Topological charge, rounded to nearest integer on each config.
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target : int
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Specifies the topological sector to be reweighted to (default 0)
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"""
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if qtop.reweighted:
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raise Exception('You can not use a reweighted observable for reweighting!')
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proj_qtop = []
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for n in qtop.deltas:
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proj_qtop.append(np.array([1 if int(qtop.value + q) == target else 0 for q in qtop.deltas[n]]))
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reto = Obs(proj_qtop, qtop.names, idl=[qtop.idl[name] for name in qtop.names])
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reto.is_merged = qtop.is_merged
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return reto
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def read_qtop_sector(path, prefix, c, target=0, **kwargs):
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"""Constructs reweighting factors to a specified topological sector.
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Parameters
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----------
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@ -521,18 +800,19 @@ def read_qtop(path, prefix, c, dtr_cnfg=1, version="1.2", **kwargs):
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prefix of the measurement files, e.g. <prefix>_id0_r0.ms.dat
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c : double
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Smearing radius in units of the lattice extent, c = sqrt(8 t0) / L
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target : int
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Specifies the topological sector to be reweighted to (default 0)
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dtr_cnfg : int
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(optional) parameter that specifies the number of trajectories
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between two configs.
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if it is not set, the distance between two measurements
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in the file is assumed to be
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the distance between two configurations.
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in the file is assumed to be the distance between two configurations.
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steps : int
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(optional) (maybe only necessary for openQCD2.0)
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nt step size, guessed if not given
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(optional) Distance between two configurations in units of trajectories /
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cycles. Assumed to be the distance between two measurements * dtr_cnfg if not given
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version : str
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version string of the openQCD (sfqcd) version used to create
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the ensemble
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the ensemble. Default is 2.0. May also be set to sfqcd.
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L : int
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spatial length of the lattice in L/a.
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HAS to be set if version != sfqcd, since openQCD does not provide
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@ -548,200 +828,17 @@ def read_qtop(path, prefix, c, dtr_cnfg=1, version="1.2", **kwargs):
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names : list
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Alternative labeling for replicas/ensembles.
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Has to have the appropriate length
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"""
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known_versions = ["1.0", "1.2", "1.4", "1.6", "2.0", "sfqcd"]
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if version not in known_versions:
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raise Exception("Unknown openQCD version.")
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if "steps" in kwargs:
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steps = kwargs.get("steps")
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if version == "sfqcd":
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if "L" in kwargs:
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supposed_L = kwargs.get("L")
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else:
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if "L" not in kwargs:
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raise Exception("This version of openQCD needs you to provide the spatial length of the lattice as parameter 'L'.")
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else:
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L = kwargs.get("L")
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r_start = 1
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if "r_start" in kwargs:
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r_start = kwargs.get("r_start")
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if "r_stop" in kwargs:
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r_stop = kwargs.get("r_stop")
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if "files" in kwargs:
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files = kwargs.get("files")
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else:
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found = []
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files = []
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for (dirpath, dirnames, filenames) in os.walk(path + "/"):
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# print(filenames)
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found.extend(filenames)
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break
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for f in found:
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if fnmatch.fnmatch(f, prefix + "*" + ".ms.dat"):
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files.append(f)
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print(files)
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rep_names = []
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deltas = []
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idl = []
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for rep, file in enumerate(files):
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with open(path + "/" + file, "rb") as fp:
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t = fp.read(12)
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header = struct.unpack('<iii', t)
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# step size in integration steps "dnms"
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dn = header[0]
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# number of measurements, so "ntot"/dn
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nn = header[1]
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# lattice T/a
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tmax = header[2]
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if version == "sfqcd":
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t = fp.read(12)
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Ls = struct.unpack('<iii', t)
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if(Ls[0] == Ls[1] and Ls[1] == Ls[2]):
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L = Ls[0]
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if not (supposed_L == L):
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raise Exception("It seems the length given in the header and by you contradict each other")
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else:
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raise Exception("Found more than one spatial length in header!")
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print('dnms:', dn)
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print('nn:', nn)
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print('tmax:', tmax)
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t = fp.read(8)
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eps = struct.unpack('d', t)[0]
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print('eps:', eps)
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Q = []
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ncs = []
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while 0 < 1:
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t = fp.read(4)
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if(len(t) < 4):
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break
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ncs.append(struct.unpack('i', t)[0])
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# Wsl
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t = fp.read(8 * tmax * (nn + 1))
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# Ysl
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t = fp.read(8 * tmax * (nn + 1))
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# Qsl, which is asked for in this method
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t = fp.read(8 * tmax * (nn + 1))
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# unpack the array of Qtops,
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# on each timeslice t=0,...,tmax-1 and the
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# measurement number in = 0...nn (see README.qcd1)
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tmpd = struct.unpack('d' * tmax * (nn + 1), t)
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Q.append(tmpd)
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if not len(set([ncs[i] - ncs[i - 1] for i in range(1, len(ncs))])):
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raise Exception("Irregularities in stepsize found")
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else:
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if 'steps' in kwargs:
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if steps != ncs[1] - ncs[0]:
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raise Exception("steps and the found stepsize are not the same")
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else:
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steps = ncs[1] - ncs[0]
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print(len(Q))
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print('max_t:', dn * (nn) * eps)
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t_aim = (c * L) ** 2 / 8
|
||||
|
||||
print('t_aim:', t_aim)
|
||||
index_aim = round(t_aim / eps / dn)
|
||||
print('index_aim:', index_aim)
|
||||
|
||||
Q_sum = []
|
||||
for i, item in enumerate(Q):
|
||||
Q_sum.append([sum(item[current:current + tmax])
|
||||
for current in range(0, len(item), tmax)])
|
||||
print(len(Q_sum))
|
||||
print(len(Q_sum[0]))
|
||||
Q_round = []
|
||||
for i in range(len(Q) // dtr_cnfg):
|
||||
Q_round.append(round(Q_sum[dtr_cnfg * i][index_aim]))
|
||||
if len(Q_round) != len(ncs) // dtr_cnfg:
|
||||
raise Exception("qtops and ncs dont have the same length")
|
||||
|
||||
truncated_file = file[:-7]
|
||||
print(truncated_file)
|
||||
idl_start = 1
|
||||
|
||||
if "r_start" in kwargs:
|
||||
Q_round = Q_round[r_start[rep]:]
|
||||
idl_start = r_start[rep]
|
||||
if "r_stop" in kwargs:
|
||||
Q_round = Q_round[:r_stop[rep]]
|
||||
idl_stop = idl_start + len(Q_round)
|
||||
# keyword "names" prevails over "ens_name"
|
||||
if "names" not in kwargs:
|
||||
try:
|
||||
idx = truncated_file.index('r')
|
||||
except Exception:
|
||||
if "names" not in kwargs:
|
||||
raise Exception("Automatic recognition of replicum failed, please enter the key word 'names'.")
|
||||
if "ens_name" in kwargs:
|
||||
ens_name = kwargs.get("ens_name")
|
||||
else:
|
||||
ens_name = truncated_file[:idx]
|
||||
rep_names.append(ens_name + '|' + truncated_file[idx:])
|
||||
else:
|
||||
names = kwargs.get("names")
|
||||
rep_names = names
|
||||
deltas.append(np.array(Q_round))
|
||||
idl.append(range(idl_start, idl_stop))
|
||||
result = Obs(deltas, rep_names, idl=idl)
|
||||
return result
|
||||
|
||||
|
||||
def read_qtop_sector(target=0, **kwargs):
|
||||
"""Constructs reweighting factors to a specified topological sector.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
target : int
|
||||
Specifies the topological sector to be reweighted to (default 0)
|
||||
q_top : Obs
|
||||
Alternatively takes args of read_qtop method as kwargs
|
||||
Zeuthen_flow : bool
|
||||
(optional) If True, the Zeuthen flow is used for Qtop. Only possible
|
||||
for version=='sfqcd' If False, the Wilson flow is used.
|
||||
integer_charge : bool
|
||||
If True, the charge is rounded towards the nearest integer on each config.
|
||||
"""
|
||||
|
||||
if not isinstance(target, int):
|
||||
raise Exception("'target' has to be an integer.")
|
||||
|
||||
if "q_top" in kwargs:
|
||||
qtop = kwargs.get("q_top")
|
||||
else:
|
||||
if "path" in kwargs:
|
||||
path = kwargs.get("path")
|
||||
del kwargs["path"]
|
||||
else:
|
||||
raise Exception("If you are not providing q_top, please provide path")
|
||||
if "prefix" in kwargs:
|
||||
prefix = kwargs.get("prefix")
|
||||
del kwargs["prefix"]
|
||||
else:
|
||||
raise Exception("If you are not providing q_top, please provide prefix")
|
||||
if "c" in kwargs:
|
||||
c = kwargs.get("c")
|
||||
del kwargs["c"]
|
||||
else:
|
||||
raise Exception("If you are not providing q_top, please provide c")
|
||||
if "version" in kwargs:
|
||||
version = kwargs.get("version")
|
||||
del kwargs["version"]
|
||||
else:
|
||||
version = "1.2"
|
||||
if "dtr_cnfg" in kwargs:
|
||||
dtr_cnfg = kwargs.get("dtr_cnfg")
|
||||
del kwargs["dtr_cnfg"]
|
||||
else:
|
||||
dtr_cnfg = 1
|
||||
qtop = read_qtop(path, prefix, c, dtr_cnfg=dtr_cnfg,
|
||||
version=version, **kwargs)
|
||||
names = qtop.names
|
||||
print(names)
|
||||
print(qtop.deltas.keys())
|
||||
proj_qtop = []
|
||||
for n in qtop.deltas:
|
||||
proj_qtop.append(np.array([1 if int(qtop.value + q) == target else 0 for q in qtop.deltas[n]]))
|
||||
kwargs['integer_charge'] = True
|
||||
qtop = read_qtop(path, prefix, c, **kwargs)
|
||||
|
||||
result = Obs(proj_qtop, qtop.names)
|
||||
return result
|
||||
return qtop_projection(qtop, target=target)
|
||||
|
|
|
|||
Loading…
Add table
Reference in a new issue