From eadb07b8395598ff6dbcf3a4f713688d5e48195d Mon Sep 17 00:00:00 2001 From: Atsushi Togo Date: Sat, 20 Nov 2021 10:18:04 +0900 Subject: [PATCH] Follow change of phonopy 562d47ee --- phono3py/cui/phono3py_script.py | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/phono3py/cui/phono3py_script.py b/phono3py/cui/phono3py_script.py index 4b50018d..ddad5e25 100644 --- a/phono3py/cui/phono3py_script.py +++ b/phono3py/cui/phono3py_script.py @@ -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']