votca 2024-dev
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votca::xtp::OrbReorder Member List

This is the complete list of members for votca::xtp::OrbReorder, including all inherited members.

computeTranspositions(std::vector< Index > vStart, std::vector< Index > vTarget) constvotca::xtp::OrbReorderprivate
copySegment(const std::array< Index, 49 > &input, Index start, Index size) constvotca::xtp::OrbReorderprivate
multipliers_votca::xtp::OrbReorderprivate
OrbReorder(std::array< Index, 49 > reorder, std::array< Index, 49 > multipliers, bool reverse=false)votca::xtp::OrbReorder
OrbTranspositions typedefvotca::xtp::OrbReorderprivate
reorder_votca::xtp::OrbReorderprivate
reorderOperator(Eigen::MatrixXd &Matrixoperator, const AOBasis &basis)votca::xtp::OrbReorder
reorderOrbitals(Eigen::MatrixXd &moCoefficients, const AOBasis &basis)votca::xtp::OrbReorder
reverse_votca::xtp::OrbReorderprivate
transpositions_votca::xtp::OrbReorderprivate
votcaOrder_votca::xtp::OrbReorderprivate
~OrbReorder()=defaultvotca::xtp::OrbReorder