GTODipoleMatrixBlock.h File Reference

#include <Sparrow/Implementations/DipoleMatrixCalculator.h>
#include <Sparrow/Implementations/Nddo/Utils/IntegralsEvaluationUtils/GTOOverlapMatrixBlock.h>
#include <Utils/DataStructures/GtoExpansion.h>
#include <Utils/Typenames.h>
#include <Eigen/Core>
#include <array>

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Classes
class	Scine::Sparrow::GTODipoleMatrixBlock
	Class responsible for calculating a block of the dipole matrix in GTO ao basis. The basis must be one of the STO-nG type. More...

Detailed Description

Copyright

This code is licensed under the 3-clause BSD license.
Copyright ETH Zurich, Department of Chemistry and Applied Biosciences, Reiher Group.
See LICENSE.txt for details.