Skip to content

Commit

Permalink
[pre-commit.ci] auto fixes from pre-commit.com hooks
Browse files Browse the repository at this point in the history
for more information, see https://pre-commit.ci
  • Loading branch information
pre-commit-ci[bot] committed Jan 13, 2025
1 parent d1d78ca commit e4e7198
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions mddatasetbuilder/datasetbuilder.py
Original file line number Diff line number Diff line change
Expand Up @@ -179,7 +179,7 @@ def builddataset(self, writegjf=True):
gc.collect()
timearray.append(time.time())
logger.info(
f"Step {len(timearray)-1} Done! Time consumed (s): {timearray[-1]-timearray[-2]:.3f}"
f"Step {len(timearray) - 1} Done! Time consumed (s): {timearray[-1] - timearray[-2]:.3f}"
)

def _readtimestepsbond(self):
Expand Down Expand Up @@ -609,7 +609,7 @@ def _bondtype(self, typebytes):
if typebytes in self.bondtyperestore:
return self.bondtyperestore[typebytes]
typetuple = pickle.loads(typebytes)
typestr = f"{typetuple[0]}{''.join(map(str,typetuple[1]))}"
typestr = f"{typetuple[0]}{''.join(map(str, typetuple[1]))}"
self.bondtyperestore[typebytes] = typestr
return typestr

Expand Down

0 comments on commit e4e7198

Please sign in to comment.