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update for recent changes in thermo output

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This commit is contained in:
Axel Kohlmeyer
2022-04-07 02:05:05 -04:00
parent 348ee5299e
commit 601bdadf44
1 changed files with 3 additions and 2 deletions
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5
python/lammps/formats.py
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@ -46,14 +46,15 @@ class LogFile:
for line in f: for line in f:
if "ERROR" in line or "exited on signal" in line: if "ERROR" in line or "exited on signal" in line:
self.errors.append(line) self.errors.append(line)
elif line.startswith('Step '):
elif re.match(r'^ *Step ', line):
in_thermo = True in_thermo = True
in_data_section = True in_data_section = True
keys = line.split() keys = line.split()
current_run = {} current_run = {}
for k in keys: for k in keys:
current_run[k] = [] current_run[k] = []
elif line.startswith('---------------- Step'): elif re.match(r'^------* Step ', line):
if not in_thermo: if not in_thermo:
current_run = {'Step': [], 'CPU': []} current_run = {'Step': [], 'CPU': []}
in_thermo = True in_thermo = True