10
0
mirror of https://github.com/LCPQ/quantum_package synced 2024-11-09 07:33:53 +01:00
quantum_package/scripts/perturbation.py

27 lines
630 B
Python
Raw Normal View History

2014-05-17 14:20:55 +02:00
#!/usr/bin/env python
import os
2015-06-08 14:49:10 +02:00
Pert_dir = os.environ["QP_ROOT"]+"/src/Perturbation/"
2014-05-17 14:20:55 +02:00
perturbations = []
for filename in filter(lambda x: x.endswith(".irp.f"), os.listdir(Pert_dir)):
filename = 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