def test_dot_hessian_x_pbe_cs(): mol, _olp, _kin, _na, ham = setup_gga_cs('x_pbe') check_dot_hessian(ham, mol.dm_alpha)
def test_dot_hessian_uhf_fd(): mol, _olp, _core, ham = setup_uhf_case() check_dot_hessian(ham, mol.lf, mol.dm_alpha, mol.dm_beta)
def test_dot_hessian_o3lyp_cs(): mol, _olp, _kin, _na, ham = setup_o3lyp_cs() check_dot_hessian(ham, mol.dm_alpha)
def test_dot_hessian_x_pbe_c_vwn_cs(): mol, _olp, _kin, _na, ham = setup_x_pbe_c_vwn_cs() check_dot_hessian(ham, mol.lf, mol.dm_alpha)
def test_dot_hessian_rhf_fd_cholesky(): mol, _olp, _core, ham = setup_rhf_case(True) check_dot_hessian(ham, mol.dm_alpha)
def test_dot_hessian_rhf_fd(): mol, _olp, _core, ham = setup_rhf_case() check_dot_hessian(ham, mol.dm_alpha)