GTOOverlapMatrixBlock.h File Reference

#include <Utils/Math/AutomaticDifferentiation/AutomaticDifferentiationHelpers.h>
#include <Eigen/Core>

Include dependency graph for GTOOverlapMatrixBlock.h:

This graph shows which files directly or indirectly include this file:

Go to the source code of this file.

Classes
struct	Scine::Sparrow::nddo::AngularMomentum
class	Scine::Sparrow::nddo::GTOOverlapMatrixBlock< O >
	This class calculates the overlap matrix block and its derivatives for two groups of orbitals on different atoms, each group of which shares the same angular momentum. F.i. s-s, s-p, p-d, d-d, ... according to the Obara-Saika method. 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.