PairwiseRepulsion.h File Reference

#include <Utils/Math/AutomaticDifferentiation/MethodsTypesHelper.h>
#include <Utils/Math/AutomaticDifferentiation/Second3D.h>

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Classes
class	Scine::Sparrow::dftb::PairwiseRepulsion

Functions
template<>
Utils::AutomaticDifferentiation::DerivativeType < Utils::Derivative::First >	Scine::Sparrow::dftb::PairwiseRepulsion::getDerivative< Utils::Derivative::First > () const
template<>
Utils::AutomaticDifferentiation::DerivativeType < Utils::Derivative::SecondAtomic >	Scine::Sparrow::dftb::PairwiseRepulsion::getDerivative< Utils::Derivative::SecondAtomic > () const
template<>
Utils::AutomaticDifferentiation::DerivativeType < Utils::Derivative::SecondFull >	Scine::Sparrow::dftb::PairwiseRepulsion::getDerivative< Utils::Derivative::SecondFull > () 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.