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just reformat the code
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qzhu2017 committed Jan 28, 2025
1 parent 92d36d0 commit 2c465ce
Showing 1 changed file with 6 additions and 5 deletions.
11 changes: 6 additions & 5 deletions pyxtal/optimize/base.py
Original file line number Diff line number Diff line change
Expand Up @@ -237,10 +237,9 @@ def __init__(
atom_info = None
if self.rank == 0:
from pyocse.parameters import ForceFieldParameters
self.parameters = ForceFieldParameters(
self.smiles,
style=ff_style,
ncpu=self.ncpu)
self.parameters = ForceFieldParameters(self.smiles,
style=ff_style,
ncpu=self.ncpu)
if self.ff_opt:
self.parameters.set_ref_evaluator('mace')

Expand Down Expand Up @@ -374,7 +373,9 @@ def run(self, ref_pmg=None, ref_pxrd=None):
self.ref_pxrd = ref_pxrd

if self.ncpu > 1:
pool = Pool(processes=self.ncpu, initializer=setup_worker_logger, initargs=(self.log_file,))
pool = Pool(processes=self.ncpu,
initializer=setup_worker_logger,
initargs=(self.log_file,))
else:
pool = None

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