def test_fmax(self):
" Make sure we can get correct max forces. "
filename = path + "/OUTCAR"
poscar = path + "/POSCAR"
outcar = OutCar(filename=filename, poscar=poscar)
coords, forces = outcar.forces()
ret_index, ret_max_force = outcar.fmax(forces)
ref_index = 4
ref_max_force = [-0.0, -0.0, -0.046234]
self.assertEqual(ret_index, ref_index)
self.assertListEqual(ret_max_force, ref_max_force)
def test_fmax(self):
" Make sure we can get correct max forces. "
filename = path + "/OUTCAR"
poscar = path + "/POSCAR"
outcar = OutCar(filename=filename, poscar=poscar)
coords, forces = outcar.forces()
ret_index, ret_max_force = outcar.fmax(forces)
ref_index = 4
ref_max_force = [-0.0, -0.0, -0.046234]
self.assertEqual(ret_index, ref_index)
self.assertListEqual(ret_max_force, ref_max_force)
