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[pre-commit.ci] auto fixes from pre-commit.com hooks
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dpgen/generator/lib/abacus_scf.py

Lines changed: 10 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -217,12 +217,18 @@ def make_abacus_scf_stru(
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# we need to only pass the pp_file in sys_data, but not all pp_files
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if type_map is None:
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type_map = sys_data_copy.data["atom_names"]
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fp_pp_files = [os.path.join(pporb, fp_pp_files[type_map.index(atom_name)]) for atom_name in sys_data_copy.data["atom_names"]]
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fp_pp_files = [
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os.path.join(pporb, fp_pp_files[type_map.index(atom_name)])
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for atom_name in sys_data_copy.data["atom_names"]
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]
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if fp_orb_files is not None:
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fp_orb_files = [os.path.join(pporb, fp_orb_files[type_map.index(atom_name)]) for atom_name in sys_data_copy.data["atom_names"]]
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fp_orb_files = [
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os.path.join(pporb, fp_orb_files[type_map.index(atom_name)])
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for atom_name in sys_data_copy.data["atom_names"]
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]
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if fp_dpks_descriptor is not None:
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fp_dpks_descriptor = os.path.join(pporb, fp_dpks_descriptor)
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