Scine::Sparrow  5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Functions
OrbitalRotation.cpp File Reference
#include "OrbitalRotation.h"
#include "GeneralTypes.h"
#include <Utils/Math/AutomaticDifferentiation/MethodsHelpers.h>
Include dependency graph for OrbitalRotation.cpp:

Functions

template<Utils::DerivativeOrder O>
bool Scine::Sparrow::nddo::isOnlyZComponent (const Utils::AutomaticDifferentiation::Value3DType< O > &planeProjection)
 
template<>
bool Scine::Sparrow::nddo::isOnlyZComponent< Utils::DerivativeOrder::Zero > (const Utils::AutomaticDifferentiation::Value3DType< Utils::DerivativeOrder::Zero > &planeProjection)
 
template<>
bool Scine::Sparrow::nddo::isOnlyZComponent< Utils::DerivativeOrder::One > (const Utils::AutomaticDifferentiation::Value3DType< Utils::DerivativeOrder::One > &planeProjection)
 
template<>
bool Scine::Sparrow::nddo::isOnlyZComponent< Utils::DerivativeOrder::Two > (const Utils::AutomaticDifferentiation::Value3DType< Utils::DerivativeOrder::Two > &planeProjection)
 

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.