Scine::Sparrow  5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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MultipoleMultipoleInteractionContainer.cpp File Reference
#include "MultipoleMultipoleInteractionContainer.h"
#include "ChargesInMultipoles.h"
#include "MMTermCreator.h"
Include dependency graph for MultipoleMultipoleInteractionContainer.cpp:

Functions

template Value1DType
< Utils::DerivativeOrder::Zero > 		Scine::Sparrow::nddo::multipole::MultipoleMultipoleInteractionContainer::calculate< Utils::DerivativeOrder::Zero > (Multipole m1, Multipole m2, double R, double D1, double d2, double squaredRhos)
 
template Value1DType
< Utils::DerivativeOrder::One > 		Scine::Sparrow::nddo::multipole::MultipoleMultipoleInteractionContainer::calculate< Utils::DerivativeOrder::One > (Multipole m1, Multipole m2, double R, double D1, double d2, double squaredRhos)
 
template Value1DType
< Utils::DerivativeOrder::Two > 		Scine::Sparrow::nddo::multipole::MultipoleMultipoleInteractionContainer::calculate< Utils::DerivativeOrder::Two > (Multipole m1, Multipole m2, double R, double D1, double d2, double squaredRhos)
 

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.