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| template<typename T , typename P , typename OsvArray > |
| | PNOBuilder (Array< T, P > const &Zxia, Eigen::VectorXd const &Fii, double tcutSPAO, double tcutPNO, bool average_densities, bool use_osv_basis=false, OsvArray const &osv_pairs=OsvArray{}) |
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| PNODataTile | operator() (std::array< RowMatrixXd, 4 > ZMFS, SparseMap const &IJA, int I, int J) const |
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| std::vector< PNODataTile > | flatten_pnos (std::array< RowMatrixXd, 4 > ZMFS, SparseMap const &IJA, int I, int J) const |
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| double | pno_time () const |
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| double | sc_time () const |
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| double | num_osvs () const |
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| double | sc_energy () const |
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| void | rotate_G (int ni, int nj, RowMatrixXd &G, RowMatrixXd const &U) const |
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| PNODataTile | make_pnos (RowMatrixXd G, RowMatrixXd const &Usc, Eigen::VectorXd const &sc_evals, SparseMap const &IJA, int I, int I_size, int I_start, int J, int J_size, int J_start) const |
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◆ PNOBuilder()
template<typename T , typename P , typename OsvArray >
| mpqc::lcao::pno::PNOBuilder::PNOBuilder |
( |
Array< T, P > const & |
Zxia, |
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Eigen::VectorXd const & |
Fii, |
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double |
tcutSPAO, |
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double |
tcutPNO, |
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bool |
average_densities, |
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bool |
use_osv_basis = false, |
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OsvArray const & |
osv_pairs = OsvArray{} |
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) |
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inline |
◆ flatten_pnos()
◆ make_pnos()
| PNODataTile mpqc::lcao::pno::PNOBuilder::make_pnos |
( |
RowMatrixXd |
G, |
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RowMatrixXd const & |
Usc, |
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Eigen::VectorXd const & |
sc_evals, |
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SparseMap const & |
IJA, |
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int |
I, |
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int |
I_size, |
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int |
I_start, |
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int |
J, |
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int |
J_size, |
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int |
J_start |
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) |
| const |
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inline |
◆ num_osvs()
| double mpqc::lcao::pno::PNOBuilder::num_osvs |
( |
| ) |
const |
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inline |
◆ operator()()
◆ pno_time()
| double mpqc::lcao::pno::PNOBuilder::pno_time |
( |
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const |
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inline |
◆ rotate_G()
◆ sc_energy()
| double mpqc::lcao::pno::PNOBuilder::sc_energy |
( |
| ) |
const |
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inline |
◆ sc_time()
| double mpqc::lcao::pno::PNOBuilder::sc_time |
( |
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const |
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inline |
The documentation for this class was generated from the following file:
