ergo
Kworker Class Reference

Public Member Functions

 Kworker (symmMatrix &D_, const IntegralInfo &integralInfo_, const BasisInfoStruct &basisInfo_, const triangMatrix &invCholFactor_, bool doInvCholFactorTransformation_, const JK::ExchWeights &CAM_params_, const JK::Params &J_K_params_, std::vector< int > const &permutationHML_, std::vector< int > const &inversePermutationHML_)
 
void ComputeMatrix (ergo_real param, symmMatrix &result) const
 

Private Attributes

symmMatrixD
 
const IntegralInfointegralInfo
 
const BasisInfoStructbasisInfo
 
const triangMatrixinvCholFactor
 
bool doInvCholFactorTransformation
 
const JK::ExchWeightsCAM_params
 
JK::Params J_K_params
 
std::vector< int > const & permutationHML
 
std::vector< int > const & inversePermutationHML
 

Constructor & Destructor Documentation

◆ Kworker()

Kworker::Kworker ( symmMatrix D_,
const IntegralInfo integralInfo_,
const BasisInfoStruct basisInfo_,
const triangMatrix invCholFactor_,
bool  doInvCholFactorTransformation_,
const JK::ExchWeights CAM_params_,
const JK::Params J_K_params_,
std::vector< int > const &  permutationHML_,
std::vector< int > const &  inversePermutationHML_ 
)
inline

References J_K_params.

Member Function Documentation

◆ ComputeMatrix()

Member Data Documentation

◆ basisInfo

const BasisInfoStruct& Kworker::basisInfo
private

Referenced by ComputeMatrix().

◆ CAM_params

const JK::ExchWeights& Kworker::CAM_params
private

Referenced by ComputeMatrix().

◆ D

symmMatrix& Kworker::D
private

Referenced by ComputeMatrix().

◆ doInvCholFactorTransformation

bool Kworker::doInvCholFactorTransformation
private

Referenced by ComputeMatrix().

◆ integralInfo

const IntegralInfo& Kworker::integralInfo
private

Referenced by ComputeMatrix().

◆ invCholFactor

const triangMatrix& Kworker::invCholFactor
private

Referenced by ComputeMatrix().

◆ inversePermutationHML

std::vector<int> const& Kworker::inversePermutationHML
private

Referenced by ComputeMatrix().

◆ J_K_params

JK::Params Kworker::J_K_params
private

Referenced by ComputeMatrix(), and Kworker().

◆ permutationHML

std::vector<int> const& Kworker::permutationHML
private

Referenced by ComputeMatrix().


The documentation for this class was generated from the following file: