Minor fix

This commit is contained in:
Atsushi Togo 2024-04-30 11:35:30 +09:00
parent 1d35ca216f
commit 7ac84c035f
1 changed files with 8 additions and 7 deletions

View File

@ -390,13 +390,14 @@ def set_dataset_and_force_constants(
cutoff_pair_distance=cutoff_pair_distance,
log_level=log_level,
)
read_fc["fc2"] = _set_dataset_phonon_dataset_or_fc2(
ph3py,
ph3py_yaml=ph3py_yaml,
fc2_filename=fc2_filename,
forces_fc2_filename=forces_fc2_filename,
log_level=log_level,
)
if ph3py.phonon_supercell_matrix is not None:
read_fc["fc2"] = _set_dataset_phonon_dataset_or_fc2(
ph3py,
ph3py_yaml=ph3py_yaml,
fc2_filename=fc2_filename,
forces_fc2_filename=forces_fc2_filename,
log_level=log_level,
)
# Cases that dataset is in phono3py.yaml but not forces.
if ph3py.dataset is None: