mirror of
https://github.com/LCPQ/quantum_package
synced 2024-11-04 13:13:57 +01:00
27 lines
636 B
Python
27 lines
636 B
Python
|
#!/usr/bin/env python
|
||
|
|
|
||
|
|
import os
|
||
|
|
|
||
|
|
Pert_dir = os.environ["QPACKAGE_ROOT"]+"/src/Perturbation/"
|
||
|
|
|
||
|
|
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
|