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1.4.2
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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
boxPot
ElecVars
C
ElecVars
calcDensity
() const
ElecVars
CommandLcaoParams
(defined in
ElecVars
)
ElecVars
friend
CommandRhoExternal
(defined in
ElecVars
)
ElecVars
friend
CommandVexternal
(defined in
ElecVars
)
ElecVars
friend
CommandWavefunction
(defined in
ElecVars
)
ElecVars
friend
d_fluid
ElecVars
Dump
(defined in
ElecVars
)
ElecVars
friend
EdensityAndVscloc
(Energies &ener, const ExCorr *alternateExCorr=0)
ElecVars
eigsFilename
ElecVars
elecEnergyAndGrad
(Energies &ener, ElecGradient *grad=0, ElecGradient *Kgrad=0, bool calc_Hsub=false)
ElecVars
ElecVars
() (defined in
ElecVars
)
ElecVars
F
ElecVars
fluidInitialStateFilename
(defined in
ElecVars
)
ElecVars
fluidParams
(defined in
ElecVars
)
ElecVars
fluidSolver
(defined in
ElecVars
)
ElecVars
get_nTot
() const
ElecVars
inline
get_nXC
() const
ElecVars
Haux_eigs
ElecVars
HauxInitialized
ElecVars
Hsub
ElecVars
Hsub_eigs
ElecVars
Hsub_evecs
ElecVars
initLCAO
ElecVars
isRandom
ElecVars
KEdensity
() const
ElecVars
n
ElecVars
nAccumulated
ElecVars
nFilenamePattern
ElecVars
orthonormalize
(int q, matrix *extraRotation=0)
ElecVars
readConversion
ElecVars
rhoAtom
ElecVars
rhoExternal
ElecVars
rhoExternalSelfEnergy
ElecVars
setEigenvectors
()
ElecVars
setup
(const Everything &everything) (defined in
ElecVars
)
ElecVars
skipWfnsInit
ElecVars
tau
ElecVars
U_rhoAtom
ElecVars
V_cavity
ElecVars
VdagC
ElecVars
Vexternal
ElecVars
VFilenamePattern
ElecVars
Vscloc
(defined in
ElecVars
)
ElecVars
Vtau
ElecVars
Vxc
ElecVars
wfnsFilename
ElecVars