#!/usr/bin/env python2 import os from qp_path import QP_SRC Pert_dir = os.path.join(QP_SRC,"perturbation") perturbations = [] for filename in filter(lambda x: x.endswith(".irp.f"), os.listdir(Pert_dir)): 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