mirror of
https://github.com/pfloos/quack
synced 2025-04-02 06:51:37 +02:00
create input dir
This commit is contained in:
parent
c2dfed3f29
commit
35d0df0eba
@ -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:
|
||||
|
Loading…
x
Reference in New Issue
Block a user