Scine::Sparrow  5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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test_sparrow.TestSparrowSlow Class Reference
Inheritance diagram for test_sparrow.TestSparrowSlow:
Inheritance graph
Collaboration diagram for test_sparrow.TestSparrowSlow:
Collaboration graph

Public Member Functions

def test_hessian_sft_1_mndo_charge_0_multiplicity_1_restricted
 
def test_hessian_sft_1_am1_charge_0_multiplicity_1_restricted
 
def test_hessian_sft_1_rm1_charge_0_multiplicity_1_restricted
 
def test_hessian_sft_1_pm3_charge_0_multiplicity_1_restricted
 
def test_hessian_sft_1_dftb2_charge_0_multiplicity_1_restricted
 
def test_hessian_sft_1_dftb3_charge_0_multiplicity_1_restricted
 
def test_hessian_sft_1_pm6_charge_0_multiplicity_1_restricted
 
def test_relative_energy_differences_sft_3
 
def test_relative_energy_differences_sft_6_rm1
 
def test_relative_energy_differences_sft_6_mndo
 
def test_molden_input_file_generation_sft_1
 
def test_thermochemistry_sft_1
 
def test_symmetry_factor_sft_1
 
def test_dftb2_first_singlet_excitation_energy_beta_carotene
 
def test_dftb2_first_excitation_energies_sft_1
 
def test_dftb3_first_excitation_energies_sft_1
 
def test_dftb2_first_excitation_energy_unrestricted_sft_1
 
def test_PM3_first_excitation_energies_formaldehyde
 
def test_PM3_first_excitation_energy_unrestricted_formaldehyde
 
def tearDownClass
 

The documentation for this class was generated from the following file: