#!/usr/bin/env python

import os
import sys

sys.path.append(os.path.join(os.path.dirname(__file__), '..'))
from runtest_dirac import Filter, TestRun

test = TestRun(__file__, sys.argv)

f = Filter()

f.add(from_string = '  Retrieving CC density matrix from file',
      to_string   = '1 a.u. =  9.71736E+21 V*m**-2',
      rel_tolerance   = 0.00001)

test.run(['ccsd_gradient_dc.inp','ccsd_gradient_x2c.inp'], ['CO_auto.mol'], f, args='--mw=100')
test.run(['ccsd_gradient_dc.inp'], ['CO_c2v.mol'], f, args='--mw=100')
test.run(['ccsd_gradient_pv.inp'], ['h2o2.mol'], f, args='--mw=100')

sys.exit(test.return_code)
