Avoided rewriting progress with completed runs, improved parsing log.lammps to yaml

This commit is contained in:
Trung Nguyen
2024-07-29 09:41:13 -05:00
parent d101fecf4d
commit 3155b6f361

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@ -182,7 +182,7 @@ def iterate(lmp_binary, input_folder, input_list, config, results, progress_file
msg = " + " + input + f" ({test_id+1}/{num_tests}): marked as completed in the progress file {progress_file}" msg = " + " + input + f" ({test_id+1}/{num_tests}): marked as completed in the progress file {progress_file}"
logger.info(msg) logger.info(msg)
print(msg) print(msg)
progress.write(msg) # No need to write to progress again that the run is completed
progress.close() progress.close()
num_skipped = num_skipped + 1 num_skipped = num_skipped + 1
test_id = test_id + 1 test_id = test_id + 1
@ -541,7 +541,7 @@ def extract_data_to_yaml(inputFileName):
docs = "" docs = ""
num_thermo_cols = 0 num_thermo_cols = 0
for line in lines: for line in lines:
if "Step" in line: if "Step" in line and line[0] != '#':
line.strip() line.strip()
keywords = line.split() keywords = line.split()
num_thermo_cols = len(keywords) num_thermo_cols = len(keywords)