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lines changed Original file line number Diff line number Diff 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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-
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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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+
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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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-
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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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+
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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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