converged() | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | inline |
correct_occupation_was_forced() const | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | inline |
correct_occupation_was_forced_flag | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | protected |
eigFInterval | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | protected |
estimateStepsLeft(int &stepsLeft, Treal &thresh) const | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | |
forceCorrectOccupation() | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | |
getAccumulatedTimeSquare() const | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | |
getAccumulatedTimeThresh() const | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | |
getAccumulatedTimeTotal() const | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | |
getAccumulatedTimeXmX2Norm() const | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | |
getEigFInterval() const | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | inline |
getHOMOandLUMOeigVecs(Tvector &eigVecLUMO, Tvector &eigVecHOMO) const | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | |
getHomoF() const | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | inline |
getLumoF() const | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | inline |
getMaxSteps() const | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | inline |
getNext() | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | inline |
getNormForTruncation() const | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | inline |
getNSteps() const | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | inline |
getOptimalThresh() const | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | |
getThreshIncreasingGap(Interval< Treal > const &middleGap) const | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | |
homoF | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | protected |
homoIsAccuratelyKnown() const | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | inline |
improveCorrectOccupation() | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | |
improveHomoLumoF() | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | |
improveInfo() | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | |
lumoF | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | protected |
lumoIsAccuratelyKnown() const | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | inline |
maxSteps | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | protected |
mInfo(std::ostream &file) const | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | |
mMemUsage(std::ostream &file) const | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | |
mTimings(std::ostream &file) const | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | |
n | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | protected |
nocc | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | protected |
normForTruncation | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | protected |
nSteps | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | protected |
operator()(int const ind) | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | inline |
PuriInfo(int nn, int noc, Interval< Treal > eigFInt, Interval< Treal > hoF, Interval< Treal > luF, Treal toleratedEigenvalError, Treal toleratedSubspaceError, normType normForTruncation_, int maxS=100) | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | inline |
ShouldComputeXmX2EuclNormAccurately(Treal &howAccurate) const | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | |
step | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | protected |
subspaceError() const | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | inline |
subspaceError(int end) const | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | protected |
tolEigenvalError | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | protected |
tolSubspaceError | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | protected |
~PuriInfo() | mat::PuriInfo< Treal, Tvector, TdebugPolicy > | inlinevirtual |