def test_hf_overlap_matrices():
for scheme in iter_hf_sto3g_gaussian_schemes():
yield check_hf_overlap_matrices, scheme
def test_hf_multipoles():
for scheme in iter_hf_sto3g_gaussian_schemes():
yield check_hf_multipoles, scheme
def test_hf_charges():
for scheme in iter_hf_sto3g_gaussian_schemes():
yield check_hf_charges, scheme, True
def test_hf_net_overlap():
for scheme in iter_hf_sto3g_gaussian_schemes():
yield check_hf_net_overlap, scheme
def test_hf_esp_tst():
for scheme in iter_hf_sto3g_gaussian_schemes():
yield check_hf_esp_tst, scheme
def test_hf_bond_orders():
for scheme in iter_hf_sto3g_gaussian_schemes():
yield check_hf_bond_orders, scheme
def test_compute_atgrid_atweights():
for scheme in iter_hf_sto3g_gaussian_schemes():
yield check_compute_atgrid_atweights, scheme
def test_hf_overlap_matrices():
for scheme in iter_hf_sto3g_gaussian_schemes():
yield check_hf_overlap_matrices, scheme
def test_hf_noble_radii():
for scheme in iter_hf_sto3g_gaussian_schemes():
yield check_hf_noble_radii, scheme
def test_hf_multipoles():
for scheme in iter_hf_sto3g_gaussian_schemes():
yield check_hf_multipoles, scheme
def test_hf_charges():
for scheme in iter_hf_sto3g_gaussian_schemes():
yield check_hf_charges, scheme, True
def test_hf_esp_tst():
for scheme in iter_hf_sto3g_gaussian_schemes():
yield check_hf_esp_tst, scheme
def test_compute_atgrid_atweights():
for scheme in iter_hf_sto3g_gaussian_schemes():
yield check_compute_atgrid_atweights, scheme
def test_hf_net_overlap():
for scheme in iter_hf_sto3g_gaussian_schemes():
yield check_hf_net_overlap, scheme
def test_hf_bond_orders():
for scheme in iter_hf_sto3g_gaussian_schemes():
yield check_hf_bond_orders, scheme
def test_hf_noble_radii():
for scheme in iter_hf_sto3g_gaussian_schemes():
yield check_hf_noble_radii, scheme
