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UnrestrictedHartreeFockSolver Member List

This is the complete list of members for UnrestrictedHartreeFockSolver, including all inherited members.

advance()UnrestrictedHartreeFockSolvervirtual
alphaHartreeFockSolver
coeffcientMatrixDown() const UnrestrictedHartreeFockSolver
coeffcientMatrixUp() const UnrestrictedHartreeFockSolver
convergenceTreshold() const HartreeFockSolver
coupledMatrix() const HartreeFockSolver
densityMatrixDown() const UnrestrictedHartreeFockSolver
densityMatrixUp() const UnrestrictedHartreeFockSolver
densityMixFactor() const HartreeFockSolver
diisSampleCount() const UnrestrictedHartreeFockSolver
diisStartingIteration() const UnrestrictedHartreeFockSolver
electronSystem()HartreeFockSolver
energy()UnrestrictedHartreeFockSolvervirtual
HartreeFockSolver(ElectronSystem *electronSystem)HartreeFockSolverexplicit
isDiisEnabled() const UnrestrictedHartreeFockSolver
iterationsUsed() const HartreeFockSolver
m_iterationsUsedHartreeFockSolverprotected
nIterationsMax() const HartreeFockSolver
normalizeCoefficientMatrix(uint nParticles, mat &coefficientMatrix)HartreeFockSolverprotected
overlapMatrix() const HartreeFockSolver
setConvergenceTreshold(double convergenceTreshold)HartreeFockSolver
setDensityMixFactor(double densityMixFactor)HartreeFockSolver
setDiisEnabled(bool isDiisEnabled)UnrestrictedHartreeFockSolver
setDiisSampleCount(int diisSampleCount)UnrestrictedHartreeFockSolver
setDiisStartingIteration(int diisStartingIteration)UnrestrictedHartreeFockSolver
setElectronSystem(ElectronSystem *electronSystem)HartreeFockSolver
setInitialCoefficientMatrices(const mat &up, const mat &down)UnrestrictedHartreeFockSolver
setNIterationsMax(int nIterationsMax)HartreeFockSolver
setup()UnrestrictedHartreeFockSolvervirtual
setupIntegralMatrices()HartreeFockSolverprotected
solve()UnrestrictedHartreeFockSolvervirtual
transformationMatrix() const HartreeFockSolver
uncoupledMatrix() const HartreeFockSolver
UnrestrictedHartreeFockSolver(ElectronSystem *system)UnrestrictedHartreeFockSolverexplicit
~HartreeFockSolver()HartreeFockSolvervirtual