mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-03 20:53:54 +01:00
28 lines
665 B
Python
28 lines
665 B
Python
#!/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
|