Scine::Sparrow  5.1.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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CalculatorWithReferenceTest.TestCalculatorWithReferencePythonBindings Class Reference
Inheritance diagram for CalculatorWithReferenceTest.TestCalculatorWithReferencePythonBindings:
Inheritance graph
Collaboration diagram for CalculatorWithReferenceTest.TestCalculatorWithReferencePythonBindings:
Collaboration graph

Public Member Functions

def setUp
 
def test_reference_calculation
 
def test_singlet_excited_states
 
def test_triplet_excited_states
 
def test_unrestricted_excited_states
 
def test_singlet_tddftb
 
def test_triplet_tddftb
 
def test_unrestricted_tddftb
 

Public Attributes

 calculator
 
 dftb
 
 excited_states_calculator
 
 tddftb
 

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