AtomPairOverlap.h File Reference

#include "GTOOverlapMatrixBlock.h"
#include <Utils/DataStructures/AtomicGtos.h>
#include <Utils/Math/DerivOrderEnum.h>
#include <Eigen/Core>

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Classes
class	Scine::Sparrow::nddo::AtomPairOverlap< O >
	This class computes a block of the overlap matrix for two atoms. The actual calculation is done by the GTOOverlapMatrixBlock class, here the blocks that need calculation are identified and scheduled for calculation. 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.