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phono3py
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Follow change of phonopy 562d47ee

This commit is contained in:
Atsushi Togo 2021-11-20 10:18:04 +09:00
parent f0a63c395b
commit eadb07b839
1 changed files with 4 additions and 4 deletions
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8
phono3py/cui/phono3py_script.py
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@ -498,7 +498,7 @@ def get_input_output_filenames_from_args(args):
return input_filename, output_filename
def get_cell_info(settings, cell_filename, symprec, log_level):
def get_cell_info(settings, cell_filename, log_level):
"""Return calculator interface and crystal structure information."""
cell_info = collect_cell_info(
supercell_matrix=settings.supercell_matrix,
@ -508,8 +508,8 @@ def get_cell_info(settings, cell_filename, symprec, log_level):
chemical_symbols=settings.chemical_symbols,
phonopy_yaml_cls=Phono3pyYaml,
)
if type(cell_info) is str:
print_error_message(cell_info)
if "error_message" in cell_info:
print_error_message(cell_info["error_message"])
if log_level > 0:
print_error()
sys.exit(1)
@ -1026,7 +1026,7 @@ def main(**argparse_control):
else:
symprec = settings.symmetry_tolerance
cell_info = get_cell_info(settings, cell_filename, symprec, log_level)
cell_info = get_cell_info(settings, cell_filename, log_level)
unitcell_filename = cell_info["optional_structure_info"][0]
interface_mode = cell_info["interface_mode"]
# ph3py_yaml = cell_info['phonopy_yaml']