diff --git a/parser/parser-quantum-espresso/parser_quantum_espresso.py b/parser/parser-quantum-espresso/parser_quantum_espresso.py index a7dbafc12f4f757ebacc3b07c29647fc6de40c07..73d45bca038290b5e6215c99fbc67db3eabd8d27 100644 --- a/parser/parser-quantum-espresso/parser_quantum_espresso.py +++ b/parser/parser-quantum-espresso/parser_quantum_espresso.py @@ -825,6 +825,9 @@ class QuantumEspressoParserPWSCF(QeC.ParserQuantumEspresso): ), ], ), + SM(name='cell_mass', + startReStr=r"\s*cell mass =\s*(?P<x_qe_md_cell_mass>" + RE_f + r")\s*AMU/\(a\.u\.\)\^2", + ), SM(name='nsymm', startReStr=(r"\s*(?P<x_qe_nsymm>\d+)\s*Sym\.\s*Ops\.\s*[\(,]\s*(?P<x_qe_t_symm_inversion>\S+) inversion\s*[\),]\s*(?:found)?\s*" r"(?:\(\s*(?P<x_qe_nsymm_with_fractional_translation>\d+)\s*have fractional translation\s*\))?\s*$"),