addToSpace(VarVectorCollection &vecs, E2Evaluator &e2) | LR::LRSolver | [protected, virtual] |
ao2mo(int nbast, const ergo_real *ao, ergo_real *mo) const | LR::LRSolver | [protected] |
Avects | LR::LRSolver | [private] |
buildVector(const ergo_real *w, VarVector &full) | LR::LRSolver | [protected] |
cmo | LR::LRSolver | [private] |
computeExactE2Diag(E2Evaluator &e2) | LR::LRSolver | |
convThreshold | LR::LRSolver | |
e2diag | LR::LRSolver | [protected] |
eSub | LR::LRSolver | [protected] |
fdiag | LR::LRSolver | [private] |
getAvMinusFreqSv(ergo_real f, ergo_real *weights, VarVector &r) | LR::LRSolver | [protected] |
getInitialGuess(VarVectorCollection &vecs)=0 | LR::LRSolver | [pure virtual] |
getPreconditionerShift(int i) const =0 | LR::LRSolver | [pure virtual] |
getResidual(VarVectorCollection &residualv)=0 | LR::LRSolver | [pure virtual] |
increaseSubspaceLimit(int newSize) | LR::LRSolver | [virtual] |
lintrans(E2Evaluator &e2, const VarVector &v, VarVector &Av) const | LR::LRSolver | [private] |
load_F_MO(ergo_real *fmat) const | LR::LRSolver | [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 | [protected, static] |
nbast | LR::LRSolver | [protected] |
nocc | LR::LRSolver | [protected] |
operToVec(OneElOperator &oper, VarVector &res) const | LR::LRSolver | [protected] |
projectOnSubspace(const VarVector &full, ergo_real *w) | LR::LRSolver | [protected] |
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] |
vects | LR::LRSolver | [protected] |
xSub | LR::LRSolver | [protected] |
~LRSolver() | LR::LRSolver | [inline, virtual] |