def analyze(self): """ read ao overlap matrix """ myjob = gms_parser(self.config) myjob.get_ao() return
def analyze(self): """ for surface hopping like calc., the required QC information was extraced. """ gms = gms_parser(self.config) # @check correction first gms.get_td_dat() return
def analyze(self): """ extract data used for surface hopping dynamics., the required QC information was extraced. """ parser = gms_parser(self.config) # @check correction first parser.get_td_dat() return