Global2c2eMatrix.h File Reference

#include "Global2c2eTerms.h"
#include "Local2c2eMatrix.h"
#include "multipoleTypes.h"
#include <Utils/Math/AutomaticDifferentiation/MethodsTypesHelper.h>
#include <Eigen/Core>

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Classes
class	Scine::Sparrow::nddo::multipole::Global2c2eMatrix

Functions
template<>
Utils::AutomaticDifferentiation::DerivativeType < Utils::Derivative::First >	Scine::Sparrow::nddo::multipole::Global2c2eMatrix::getDerivative< Utils::Derivative::First > (orbPair_index_t op1, orbPair_index_t op2) const
template<>
Utils::AutomaticDifferentiation::DerivativeType < Utils::Derivative::SecondAtomic >	Scine::Sparrow::nddo::multipole::Global2c2eMatrix::getDerivative< Utils::Derivative::SecondAtomic > (orbPair_index_t op1, orbPair_index_t op2) const
template<>
Utils::AutomaticDifferentiation::DerivativeType < Utils::Derivative::SecondFull >	Scine::Sparrow::nddo::multipole::Global2c2eMatrix::getDerivative< Utils::Derivative::SecondFull > (orbPair_index_t op1, orbPair_index_t op2) const

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.