ergo
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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 | |
symmMatrix & | D |
const IntegralInfo & | integralInfo |
const BasisInfoStruct & | basisInfo |
const triangMatrix & | invCholFactor |
bool | doInvCholFactorTransformation |
const JK::ExchWeights & | CAM_params |
JK::Params | J_K_params |
std::vector< int > const & | permutationHML |
std::vector< int > const & | inversePermutationHML |
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.
void Kworker::ComputeMatrix | ( | ergo_real | param, |
symmMatrix & | result | ||
) | const |
const BasisInfoStruct& Kworker::basisInfo [private] |
Referenced by ComputeMatrix().
const JK::ExchWeights& Kworker::CAM_params [private] |
Referenced by ComputeMatrix().
symmMatrix& Kworker::D [private] |
Referenced by ComputeMatrix().
bool Kworker::doInvCholFactorTransformation [private] |
Referenced by ComputeMatrix().
const IntegralInfo& Kworker::integralInfo [private] |
Referenced by ComputeMatrix().
const triangMatrix& Kworker::invCholFactor [private] |
Referenced by ComputeMatrix().
std::vector<int> const& Kworker::inversePermutationHML [private] |
Referenced by ComputeMatrix().
JK::Params Kworker::J_K_params [private] |
Referenced by Kworker(), and ComputeMatrix().
std::vector<int> const& Kworker::permutationHML [private] |
Referenced by ComputeMatrix().