Local2c2eIntegralCalculator.cpp File Reference

#include "Local2c2eIntegralCalculator.h"
#include "Sparrow/Implementations/Nddo/Utils/ParameterUtils/ChargeSeparationParameter.h"
#include "Sparrow/Implementations/Nddo/Utils/ParameterUtils/KlopmanParameter.h"
#include <Utils/Math/AutomaticDifferentiation/AutomaticDifferentiationHelpers.h>
#include <cmath>

Include dependency graph for Local2c2eIntegralCalculator.cpp:

Macros
#define	DONOTREPRODUCEERROR   true

Functions
template Value1DType < Utils::DerivativeOrder::Zero >	Scine::Sparrow::nddo::multipole::Local2c2eIntegralCalculator::getIntegral< Utils::DerivativeOrder::Zero > (twoElIntegral_t t1, twoElIntegral_t t2, double R, const ChargeSeparationParameter &D1, const ChargeSeparationParameter &d2, const KlopmanParameter &rho1, const KlopmanParameter &rho2)
template Value1DType < Utils::DerivativeOrder::One >	Scine::Sparrow::nddo::multipole::Local2c2eIntegralCalculator::getIntegral< Utils::DerivativeOrder::One > (twoElIntegral_t t1, twoElIntegral_t t2, double R, const ChargeSeparationParameter &D1, const ChargeSeparationParameter &d2, const KlopmanParameter &rho1, const KlopmanParameter &rho2)
template Value1DType < Utils::DerivativeOrder::Two >	Scine::Sparrow::nddo::multipole::Local2c2eIntegralCalculator::getIntegral< Utils::DerivativeOrder::Two > (twoElIntegral_t t1, twoElIntegral_t t2, double R, const ChargeSeparationParameter &D1, const ChargeSeparationParameter &d2, const KlopmanParameter &rho1, const KlopmanParameter &rho2)
template Value1DType < Utils::DerivativeOrder::Zero >	Scine::Sparrow::nddo::multipole::Local2c2eIntegralCalculator::getIntegral< Utils::DerivativeOrder::Zero > (int t1, int t2, double R, const ChargeSeparationParameter &D1, const ChargeSeparationParameter &d2, const KlopmanParameter &rho1, const KlopmanParameter &rho2)
template Value1DType < Utils::DerivativeOrder::One >	Scine::Sparrow::nddo::multipole::Local2c2eIntegralCalculator::getIntegral< Utils::DerivativeOrder::One > (int t1, int t2, double R, const ChargeSeparationParameter &D1, const ChargeSeparationParameter &d2, const KlopmanParameter &rho1, const KlopmanParameter &rho2)
template Value1DType < Utils::DerivativeOrder::Two >	Scine::Sparrow::nddo::multipole::Local2c2eIntegralCalculator::getIntegral< Utils::DerivativeOrder::Two > (int t1, int t2, double R, const ChargeSeparationParameter &D1, const ChargeSeparationParameter &d2, const KlopmanParameter &rho1, const KlopmanParameter &rho2)

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.