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

Public Member Functions

def test_energy_sft_1_mndo_charge_0_multiplicity_1_restricted
 
def test_energy_sft_1_am1_charge_0_multiplicity_1_restricted
 
def test_energy_sft_1_rm1_charge_0_multiplicity_1_restricted
 
def test_energy_sft_1_pm3_charge_0_multiplicity_1_restricted
 
def test_energy_sft_1_pm6_charge_0_multiplicity_1_restricted
 
def test_energy_sft_1_dftb0_charge_0_multiplicity_1_restricted
 
def test_energy_sft_1_dftb2_charge_0_multiplicity_1_restricted
 
def test_energy_sft_1_dftb3_charge_0_multiplicity_1_restricted
 
def test_gradients_sft_1_mndo_charge_0_multiplicity_1_restricted
 
def test_gradients_sft_1_am1_charge_0_multiplicity_1_restricted
 
def test_gradients_sft_1_rm1_charge_0_multiplicity_1_restricted
 
def test_gradients_sft_1_pm3_charge_0_multiplicity_1_restricted
 
def test_gradients_sft_1_pm6_charge_0_multiplicity_1_restricted
 
def test_gradients_sft_1_dftb0_charge_0_multiplicity_1_restricted
 
def test_gradients_sft_1_dftb2_charge_0_multiplicity_1_restricted
 
def test_gradients_sft_1_dftb3_charge_0_multiplicity_1_restricted
 
def test_hessian_ethane_opt_pm6_charge_0_multiplicity_1_restricted
 
def test_steering_stretched_metane_pm6_charge_0_multiplicity_1_unrestricted
 
def test_hessian_sft_1_dftb0_charge_0_multiplicity_1_restricted
 
def test_relative_energy_differences_sft_5
 
def test_atomic_hessians_sft_1_mndo_charge_0_multiplicity_1_restricted
 
def test_atomic_hessians_sft_1_am1_charge_0_multiplicity_1_restricted
 
def test_atomic_hessians_sft_1_rm1_charge_0_multiplicity_1_restricted
 
def test_atomic_hessians_sft_1_pm3_charge_0_multiplicity_1_restricted
 
def test_atomic_hessians_sft_1_pm6_charge_0_multiplicity_1_restricted
 
def test_atomic_hessians_sft_1_dftb0_charge_0_multiplicity_1_restricted
 
def test_atomic_hessians_sft_1_dftb2_charge_0_multiplicity_1_restricted
 
def test_atomic_hessians_sft_1_dftb3_charge_0_multiplicity_1_restricted
 
def tearDownClass
 

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