Commit f83371f0 authored by Henning Glawe's avatar Henning Glawe
Browse files

set method_atom_kind_pseudopotential_name from basename of pp file

parent 9633976c
......@@ -121,6 +121,9 @@ class QuantumEspressoParserPWSCF(QeC.ParserQuantumEspresso):
if pp['x_qe_t_pp_filename'] is not None:
fpath = pp['x_qe_t_pp_filename'][-1]
basename = re.sub(r".*\/", r"", fpath)
if len(basename) > 0:
backend.addValue('method_atom_kind_pseudopotential_name',
basename)
renorm_info = self.cache_t_pp_renorm_wfc.get(basename, None)
if renorm_info is not None:
backend.addValue('x_qe_pp_renormalized_wfc', renorm_info)
......
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