def get_pol_log(filename):
"""Get polarization data and experiment setup from file"""
experiment = get_label(filename)
thermostat = build_temp(experiment)
with open(filename, 'rb') as datf:
pol_log = np.fromfile(datf, dtype=np.double)
pol_log = pol_log.reshape(-1, thermostat.size, experiment['Eiter'])
return pol_log, thermostat, experiment
def get_pol_log(filename):
"""Get polarization data and experiment setup from file"""
experiment = get_label(filename)
thermostat = build_temp(experiment)
with open(filename, 'rb') as datf:
pol_log = np.fromfile(datf, dtype=np.double)
pol_log = pol_log.reshape( -1, thermostat.size, experiment['Eiter'] )
return pol_log, thermostat, experiment
def get_sigmas_log(filename):
"""Get individual dipole history log and experiment setup from file"""
experiment = get_label(filename)
thermostat = build_temp(experiment)
with open(filename, 'rb') as datf:
sigma = np.fromfile(datf, dtype=np.int32) / experiment['Eiter']
sigma = sigma.reshape(-1, thermostat.size, experiment['N'])
return sigma, thermostat, experiment
def get_sigmas_log(filename):
"""Get individual dipole history log and experiment setup from file"""
experiment = get_label(filename)
thermostat = build_temp(experiment)
with open(filename, 'rb') as datf:
sigma = np.fromfile(datf, dtype=np.int32) / experiment['Eiter']
sigma = sigma.reshape(-1, thermostat.size, experiment['N'])
return sigma, thermostat, experiment
