duplicates in dataset were changed to list internally, too

This commit is contained in:
Atsushi Togo 2020-09-25 16:16:11 +09:00
parent cec0fd6bdd
commit 2fd8a2bd50
1 changed files with 1 additions and 2 deletions

View File

@ -148,8 +148,7 @@ class Phono3pyYaml(PhonopyYaml):
if 'cutoff_pair_distance' in info_yaml:
dataset['cutoff_distance'] = info_yaml['cutoff_pair_distance']
if 'duplicated_supercell_ids' in info_yaml:
duplicates = info_yaml['duplicated_supercell_ids']
dataset['duplicates'] = dict(duplicates)
dataset['duplicates'] = info_yaml['duplicated_supercell_ids']
self.dataset = dataset
def _parse_forces_fc3_type1(self, natom):