diff --git a/parser/parser-quantum-espresso/parser_quantum_espresso.py b/parser/parser-quantum-espresso/parser_quantum_espresso.py index a11ab000ba50e9b6a178b152bf71f5b3476e3bdd..a7dbafc12f4f757ebacc3b07c29647fc6de40c07 100644 --- a/parser/parser-quantum-espresso/parser_quantum_espresso.py +++ b/parser/parser-quantum-espresso/parser_quantum_espresso.py @@ -707,7 +707,7 @@ class QuantumEspressoParserPWSCF(QeC.ParserQuantumEspresso): startReStr=r"\s*EXX-fraction\s*=\s*(?P<x_qe_t_exact_exchange_fraction>" + RE_f + r")\s*$", ), SM(name='nstep', - startReStr=r"\s*nstep\s*=\s*(?P<x_qe_dynamics_max_steps>" + RE_i + r")\s*$", + startReStr=r"\s*nstep\s*=\s*(?P<x_qe_md_max_steps>" + RE_i + r")\s*$", ), SM(name='spin_orbit_mode', startReStr=r"\s*(?P<x_qe_t_spin_orbit_magn>.*?)\s*calculation\s*(?P<x_qe_t_spin_orbit_mode>with(?:out)?)\s*spin-orbit\s*$",