def test_project_init_guess_geom(self):
    mfr_mo_norm = numpy.einsum('ip,ip->p', mfr.mo_coeff.conj(), mfr_prg.get_ovlp().dot(mfr.mo_coeff))
    mfr_mo_norm = (mfr.mo_coeff / numpy.sqrt(mfr_mo_norm)[None, :])
    mo1 = mcscf.addons.project_init_guess(mcr_prg, mfr.mo_coeff)
    s1 = reduce(numpy.dot, (mo1.T, mfr_prg.get_ovlp(), mo1))
    self.assertEqual(numpy.count_nonzero((numpy.linalg.eigh(s1)[0] > 1e-10)), s1.shape[0])
    self.assertAlmostEqual(numpy.linalg.norm(s1), 5.291502622129184, 9)
def test_project_init_guess_geom(self):
    mfr_mo_norm = numpy.einsum('ip,ip->p', mfr.mo_coeff.conj(), mfr_prg.get_ovlp().dot(mfr.mo_coeff))
    mfr_mo_norm = (mfr.mo_coeff / numpy.sqrt(mfr_mo_norm)[None, :])
    mo1 = mcscf.addons.project_init_guess(mcr_prg, mfr.mo_coeff)
    s1 = reduce(numpy.dot, (mo1.T, mfr_prg.get_ovlp(), mo1))
    self.assertEqual(numpy.count_nonzero((numpy.linalg.eigh(s1)[0] > 1e-10)), s1.shape[0])
    self.assertAlmostEqual(numpy.linalg.norm(s1), 5.291502622129184, 9)