Scine::Sparrow  5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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DipoleMatrixCalculator.h File Reference
#include <Utils/Typenames.h>
#include <exception>
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Classes

class  Scine::Sparrow::DipoleMatrixTypeNotAvailableException
 
class  Scine::Sparrow::DipoleMatrixCalculator
 Interface for the calculation of the dipole matrix in semiempirical methods. More...
 

Enumerations

enum  IntegralMethod { ObaraSaika, ClosedForm }
 List of the available calculation methods for calculating the density matrix elements.
 

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