ergo
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Public Member Functions | |
Jworker (const symmMatrix &D_, const IntegralInfo &integralInfo_, const BasisInfoStruct &basisInfo_, const triangMatrix &invCholFactor_, bool doInvCholFactorTransformation_, const JK::Params &J_K_params_, std::vector< int > const &permutationHML_) | |
void | ComputeMatrix (ergo_real param, symmMatrix &result) const |
Private Attributes | |
const symmMatrix & | D |
const IntegralInfo & | integralInfo |
const BasisInfoStruct & | basisInfo |
const triangMatrix & | invCholFactor |
bool | doInvCholFactorTransformation |
JK::Params | J_K_params |
std::vector< int > const & | permutationHML |
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inline |
References ComputeMatrix(), and J_K_params.
void Jworker::ComputeMatrix | ( | ergo_real | param, |
symmMatrix & | result | ||
) | const |
References basisInfo, compute_J_by_boxes_sparse(), D, doInvCholFactorTransformation, integralInfo, invCholFactor, J_K_params, permutationHML, JK::Params::threshold_J, and mat::transpose().
Referenced by Jworker(), Kworker::Kworker(), and Vxc_worker::Vxc_worker().
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private |
Referenced by ComputeMatrix(), Kworker::ComputeMatrix(), and Vxc_worker::ComputeMatrix().
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Referenced by ComputeMatrix(), Kworker::ComputeMatrix(), Vxc_worker::ComputeMatrix(), and get_mulliken_charges().
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private |
Referenced by ComputeMatrix(), Kworker::ComputeMatrix(), and Vxc_worker::ComputeMatrix().
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Referenced by ComputeMatrix(), Kworker::ComputeMatrix(), and Vxc_worker::ComputeMatrix().
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Referenced by ComputeMatrix(), Kworker::ComputeMatrix(), and Vxc_worker::ComputeMatrix().
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Referenced by ComputeMatrix(), Kworker::ComputeMatrix(), Jworker(), and Kworker::Kworker().
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Referenced by add_square_matrices(), ComputeMatrix(), Kworker::ComputeMatrix(), and Vxc_worker::ComputeMatrix().