PTEROSOR/QuAcK
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create input dir

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This commit is contained in:
Abdallah Ammar 2024-11-15 19:13:05 +01:00
parent c2dfed3f29
commit 35d0df0eba
1 changed files with 3 additions and 1 deletions
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4
tests/lunch_bench.py
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@ -210,9 +210,11 @@ def main():
work_path.mkdir(parents=True, exist_ok=True)
print(f"Directory '{work_path}' created.\n")
# to save QuAcK output
# for I/O
if not os.path.exists("{}/test".format(work_path)):
os.makedirs("{}/test".format(work_path))
if not os.path.exists("{}/input".format(work_path)):
os.makedirs("{}/input".format(work_path))
test_failed = False
for mol in molecules: