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Propose fix for nc/idl map #284

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Propose fix for nc/idl map #284

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8251ccf
proposed fix for nc/idl map
jkuhl-uni May 11, 2026
52a2c67
correct docs, implement failesafe for therm. trajectories
jkuhl-uni May 20, 2026
ed96cea
lint
jkuhl-uni May 20, 2026
0e77fab
easier test, improve descriptions
jkuhl-uni May 20, 2026
5762171
clarify r_step parameterin docs
jkuhl-uni May 21, 2026
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14 changes: 9 additions & 5 deletions pyerrors/input/openQCD.py
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Original file line number Diff line number Diff line change
Expand Up @@ -238,8 +238,9 @@ def _extract_flowed_energy_density(path, prefix, dtr_read, xmin, spatial_extent,

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
of `r_start`, `r_stop` and `r_step` is wrong and the user has to correct
this in the resulting observable.
The function also assumes that `r_step` is the same across all replica.

Parameters
----------
Expand All @@ -250,7 +251,7 @@ def _extract_flowed_energy_density(path, prefix, dtr_read, xmin, spatial_extent,
dtr_read : int
Determines how many trajectories should be skipped
when reading the ms.dat files.
Corresponds to dtr_cnfg / dtr_ms in the openQCD input file.
Corresponds to dtr_cnfg (dncnfg) in the openQCD input file.
xmin : int
First timeslice where the boundary
effects have sufficiently decayed.
Expand Down Expand Up @@ -358,8 +359,8 @@ def _extract_flowed_energy_density(path, prefix, dtr_read, xmin, spatial_extent,
if (len(t) < 4):
break
nc = struct.unpack('i', t)[0]
configlist[-1].append(nc)

if nc % dtr_read == 0:
configlist[-1].append(nc)
t = fp.read(8 * tmax * (nn + 1))
if kwargs.get('plaquette'):
if nc % dtr_read == 0:
Expand All @@ -377,6 +378,8 @@ def _extract_flowed_energy_density(path, prefix, dtr_read, xmin, spatial_extent,
for current in range(0, len(item), tmax)])

diffmeas = configlist[-1][-1] - configlist[-1][-2]
if not all(c % diffmeas == 0 for c in configlist[-1]):
raise ValueError(f"Irregular spacing of configurations in {ls[rep]}, determined stepsize does not divide all trajectory steps.")
configlist[-1] = [item // diffmeas for item in configlist[-1]]
if kwargs.get('assume_thermalization', True) and configlist[-1][0] > 1:
warnings.warn('Assume thermalization and that the first measurement belongs to the first config.')
Expand Down Expand Up @@ -433,8 +436,9 @@ def extract_t0(path, prefix, dtr_read, xmin, spatial_extent, fit_range=5, postfi

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
of `r_start`, `r_stop` and `r_step` is wrong and the user has to correct
this in the resulting observable.
The function also assumes that `r_step` is the same across all replica.

Parameters
----------
Expand Down
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