ergo
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This is the complete list of members for LR::EigenSolver, including all inherited members.
addToSpace(VarVectorCollection &vecs, E2Evaluator &e2) | LR::LRSolver | protectedvirtual |
ao2mo(int nbast, const ergo_real *ao, ergo_real *mo) const | LR::LRSolver | protected |
buildVector(const ergo_real *w, VarVector &full) | LR::LRSolver | protected |
computeExactE2Diag(E2Evaluator &e2) | LR::LRSolver | |
computeMoments(OneElOperator &dipx, OneElOperator &dipy, OneElOperator &dipz) | LR::EigenSolver | |
convThreshold | LR::LRSolver | |
e2diag | LR::LRSolver | protected |
EigenSolver(int nbast, int nocc, const ergo_real *fock_matrix, const ergo_real *overlap, int n) | LR::EigenSolver | inline |
eSub | LR::LRSolver | protected |
getAvMinusFreqSv(ergo_real f, ergo_real *weights, VarVector &r) | LR::LRSolver | protected |
getFreq(int i) const | LR::EigenSolver | inline |
getInitialGuess(VarVectorCollection &vecs) | LR::EigenSolver | virtual |
getPreconditionerShift(int i) const | LR::EigenSolver | inlinevirtual |
getResidual(VarVectorCollection &residualv) | LR::EigenSolver | virtual |
getTransitionMoment2(int i) const | LR::EigenSolver | inline |
increaseSubspaceLimit(int newSize) | LR::EigenSolver | virtual |
last_ev | LR::EigenSolver | private |
LRSolver(int nbast, int nocc, const ergo_real *fock_matrix, const ergo_real *s) | LR::LRSolver | |
maxSubspaceSize | LR::LRSolver | |
mo2ao(int nbast, const ergo_real *mo, ergo_real *ao) const | LR::LRSolver | protected |
MVEC | LR::LRSolver | protectedstatic |
nbast | LR::LRSolver | protected |
nConverged | LR::EigenSolver | private |
nocc | LR::LRSolver | protected |
nStates | LR::EigenSolver | private |
operToVec(OneElOperator &oper, VarVector &res) const | LR::LRSolver | protected |
projectOnSubspace(const VarVector &full, ergo_real *w) | LR::LRSolver | protected |
ritzVals | LR::EigenSolver | private |
setE2diag(int nbast, int nocc, const ergo_real *fock_matrix, const ergo_real *s) | LR::LRSolver | protected |
solve(E2Evaluator &e, bool diskMode=false) | LR::LRSolver | |
sSub | LR::LRSolver | protected |
subspaceSize | LR::LRSolver | protected |
transMoms2 | LR::EigenSolver | private |
vects | LR::LRSolver | protected |
xSub | LR::LRSolver | protected |
~EigenSolver() | LR::EigenSolver | inlinevirtual |
~LRSolver() | LR::LRSolver | inlinevirtual |