diff --git a/pyscf/lrdf/test/test_lrdf.py b/pyscf/lrdf/test/test_lrdf.py index 5f70520d..caa4d978 100644 --- a/pyscf/lrdf/test/test_lrdf.py +++ b/pyscf/lrdf/test/test_lrdf.py @@ -54,8 +54,8 @@ def test_get_jk_sr(self): vj, vk = with_df._get_jk_sr(dm[None]) with mol.with_range_coulomb(-0.15): jref, kref = hf.get_jk(mol, dm) - self.assertAlmostEqual(abs(jref-vj[0]).max(), 0, 11) - self.assertAlmostEqual(abs(kref-vk[0]).max(), 0, 11) + self.assertAlmostEqual(abs(jref-vj[0]).max(), 0, 8) + self.assertAlmostEqual(abs(kref-vk[0]).max(), 0, 8) if __name__ == "__main__": print('Full Tests for LRDF') diff --git a/pyscf/msdft/tests/test_noci.py b/pyscf/msdft/tests/test_noci.py index 9b25ea96..5c44ff58 100644 --- a/pyscf/msdft/tests/test_noci.py +++ b/pyscf/msdft/tests/test_noci.py @@ -19,7 +19,7 @@ def test_hf_det_ovlp(): occ = mf0.mo_occ.copy() occ[0][mf0.nelec[0]-1] = 0 occ[0][mf0.nelec[0]+1] = 1 - mf1 = scf.addons.mom_occ(mf1, mf0.mo_coeff, occ).run(max_cycle=1) + mf1 = scf.addons.mom_occ(mf1, mf0.mo_coeff, occ).run(max_cycle=1, mo_coeff=None) h, s = noci.hf_det_ovlp(ms_ks, [mf0, mf1]) ref = np.array([[-9.35176786e+01, -6.82503177e-02], [-6.82503177e-02, -9.33368874e+01]])