JDFTx  1.1.0
ElecVars Member List

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

applyHamiltonian(int q, const diagMatrix &Fq, ColumnBundle &HCq, Energies &ener, bool need_Hsub=false)ElecVars
BElecVars
B_eigsElecVars
B_evecsElecVars
bandEnergyAndGrad(int q, Energies &ener, ColumnBundle *grad=0, ColumnBundle *Kgrad=0)ElecVars
boxPot (defined in ElecVars)ElecVars
CElecVars
calcDensity() const ElecVars
CommandLcaoParams (defined in ElecVars)ElecVarsfriend
CommandRhoExternal (defined in ElecVars)ElecVarsfriend
CommandVexternal (defined in ElecVars)ElecVarsfriend
CommandWavefunction (defined in ElecVars)ElecVarsfriend
d_fluidElecVars
Dump (defined in ElecVars)ElecVarsfriend
EdensityAndVscloc(Energies &ener, const ExCorr *alternateExCorr=0)ElecVars
eigsFilenameElecVars
elecEnergyAndGrad(Energies &ener, ElecGradient *grad=0, ElecGradient *Kgrad=0, bool calc_Hsub=false)ElecVars
ElecVars() (defined in ElecVars)ElecVars
FElecVars
fluidInitialStateFilename (defined in ElecVars)ElecVars
fluidParamsElecVars
fluidSolver (defined in ElecVars)ElecVars
get_nTot() const ElecVarsinline
get_nXC() const ElecVars
grad_CdagOCElecVars
HauxFilenameElecVars
HauxInitializedElecVars
HsubElecVars
Hsub_eigsElecVars
Hsub_evecsElecVars
initLCAOElecVars
InverseKohnSham classElecVarsfriend
isRandomElecVars
KEdensity() const ElecVars
nElecVars
nFilenamePatternElecVars
nOccupiedBands(int q) const ElecVars
orthonormalize(int q)ElecVars
orthonormalizeGrad(int q, const diagMatrix &Fq, const ColumnBundle &HCq, ColumnBundle &gradYq, double KErollover=1., ColumnBundle *KgradYq=0, matrix *gradBq=0, matrix *KgradBq=0)ElecVars
overlapConditionElecVars
readConversionElecVars
rhoAtomElecVars
rhoExternalElecVars
rhoExternalSelfEnergyElecVars
setEigenvectors(int q=-1)ElecVars
setup(const Everything &everything) (defined in ElecVars)ElecVars
subspaceRotationFactorElecVars
tauElecVars
U_rhoAtomElecVars
V_cavityElecVars
VdagC (defined in ElecVars)ElecVars
VexternalElecVars
VFilenamePatternElecVars
Vscloc (defined in ElecVars)ElecVars
VtauElecVars
wfnsFilenameElecVars
YElecVars