Skip to content

Commit

Permalink
update bug
Browse files Browse the repository at this point in the history
  • Loading branch information
qzhu2017 committed Oct 25, 2024
1 parent 19dbd8f commit 77b0c46
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion pyxtal/optimize/base.py
Original file line number Diff line number Diff line change
Expand Up @@ -189,6 +189,7 @@ def __init__(

# Generation and Optimization
self.workdir = workdir
os.makedirs(self.workdir, exist_ok=True)
self.log_file = self.workdir + "/loginfo"
if self.rank > 0: self.log_file += f"-{self.rank}"

Expand Down Expand Up @@ -224,7 +225,6 @@ def __init__(
else:
self.ff_parameters = ff_parameters
self.reference_file = reference_file
os.makedirs(self.workdir, exist_ok=True)
# Only call ForceFieldParameters once
# No need to broadcast self.parameters?
# Just broadcast atom_info should be fine
Expand Down

0 comments on commit 77b0c46

Please sign in to comment.