Пример #1
0
 def print_pop_table(self, state, lvprt=2, dens_types=['']):
     pop_pr = pop_ana.pop_printer(self.struc)
     for dens_type in dens_types:
         pop = self.ret_general_pop(state, dens_type=dens_type)
         
         pop_pr.add_pop(dens_type, pop)
         
     print(pop_pr.ret_table())
Пример #2
0
 def print_valence_table(self, state, lvprt=2, BO_data=['V_A', 'F_A']):
     pop_pr = pop_ana.pop_printer(self.struc)
     for data in BO_data:
         pop = state[data]
         
         pop_pr.add_pop(data, pop)
         
     print(pop_pr.ret_table())
Пример #3
0
 def print_pop_table(self, state, lvprt=2, dens_types=['']):
     pop_pr = pop_ana.pop_printer(self.struc)
     for dens_type in dens_types:
         pop = self.ret_general_pop(state, dens_type=dens_type)
         
         pop_pr.add_pop(dens_type, pop)
         
     print pop_pr.ret_table()