Scine::Sparrow  5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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CalculatorTest.TestCalculatorPythonBindings Class Reference
Inheritance diagram for CalculatorTest.TestCalculatorPythonBindings:
Inheritance graph
Collaboration diagram for CalculatorTest.TestCalculatorPythonBindings:
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Public Member Functions

def setUp
 
def test_energy
 
def test_gradient
 
def test_hessian
 
def test_atomic_hessians
 
def test_bond_orders
 

Public Attributes

 calculator
 

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