def test_eomsf_ccsd_matvec3(self): numpy.random.seed(10) r1 = numpy.random.random((no, nv)) - .9 r2 = numpy.random.random((2, no, no, nv, nv)) - .9 myeom = eom_rccsd.EOMEESpinFlip(mycc31) vec = myeom.amplitudes_to_vector(r1, r2) imds = myeom.make_imds(eris31) vec1 = myeom.matvec(vec, imds) r1, r2 = myeom.vector_to_amplitudes(vec1) self.assertAlmostEqual(lib.finger(r1), -19368.729268465482, 8) self.assertAlmostEqual(lib.finger(r2[0]), 84325.863680611626, 8) self.assertAlmostEqual(lib.finger(r2[1]), 6715.9574457836134, 8)
def test_df_eomsf_ccsd_matvec(self): numpy.random.seed(10) r1 = numpy.random.random((no, nv)) - .9 r2 = numpy.random.random((2, no, no, nv, nv)) - .9 myeom = eom_rccsd.EOMEESpinFlip(mycc1) vec = myeom.amplitudes_to_vector(r1, r2) imds = myeom.make_imds(eris1) vec1 = myeom.matvec(vec, imds) r1, r2 = myeom.vector_to_amplitudes(vec1) self.assertAlmostEqual(lib.finger(r1), 1929.9270950777639, 8) self.assertAlmostEqual(lib.finger(r2[0]), 15571.714806853948, 8) self.assertAlmostEqual(lib.finger(r2[1]), -12949.619613624538, 8)