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qp2/scripts/perturbation.py

28 lines
664 B
Python

#!/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)