interaction energy just from the delta correction

delta.py

#!/usr/bin/python
import sys

fin=sys.argv[1]
f=open(fin,'r')
e=[]
ecp=0
print " ** delta[CC-MP2] ** "
for l in f.readlines():
   if 'delta        ccsd(t) - mp2' in l:
      e.append(float(l.split()[6]))
   if 'delta    fno-ccsd(t) - mp2' in l:
      e.append(float(l.split()[6]))
   if 'delta1    fno-ccsd(t) - mp2' in l:
      e.append(float(l.split()[6]))

if len(e)>3:
  print e
  ecp=  e[4]-e[1]-e[2]
  eint= e[4]-e[0]-e[3]
else:
  print e
  eint= e[2]-e[0]*2
  ecp = e[2]-e[1]*2

print 'E(int)'
print eint
print eint*627.50947 , 'kcal/mol'

print 'E(CP)'
print ecp
print ecp*627.50947 , 'kcal/mol'