#!/usr/bin/env python3 import os from qp_path import QP_SRC Pert_dir = os.path.join(QP_SRC,"perturbation") perturbations = [] for filename in [x for x in os.listdir(Pert_dir) if x.endswith(".irp.f")]: filename = os.path.join(Pert_dir,filename) file = open(filename,'r') lines = file.readlines() file.close() for line in lines: buffer = line.lower().lstrip().split() if len(buffer) > 1: if buffer[0] == "subroutine" and buffer[1].startswith("pt2_"): p = (buffer[1].split('(')[0])[4:] perturbations.append( p ) if __name__ == '__main__': print('Perturbations:') for k in perturbations: print('* ', k)