JDFTx  1.2.0
WannierMinimizer Member List

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

axpyWfns(double alpha, const matrix &A, const Kpoint &kpoint, int iSpin, ColumnBundle &result) const WannierMinimizerprotected
axpyWfns_grad(double alpha, matrix &Omega_A, const Kpoint &kpoint, int iSpin, const ColumnBundle &Omega_result) const WannierMinimizerprotected
basisWannierMinimizerprotected
basisSuper (defined in WannierMinimizer)WannierMinimizerprotected
basisSuperWrapperWannierMinimizerprotected
basisWrapper (defined in WannierMinimizer)WannierMinimizerprotected
compute(WannierGradient *grad, WannierGradient *Kgrad)WannierMinimizervirtual
constrain(WannierGradient &grad)WannierMinimizervirtual
Cother (defined in WannierMinimizer)WannierMinimizerprotected
dumpMatrix(const matrix &H, string varName, bool realPartOnly, int iSpin) const (defined in WannierMinimizer)WannierMinimizerprotected
e (defined in WannierMinimizer)WannierMinimizerprotected
fdTest(const MinimizeParams &params)Minimizable< WannierGradient >
fixUnitary(const matrix &U) (defined in WannierMinimizer)WannierMinimizerprotectedstatic
getOmega(bool grad=false)=0WannierMinimizerpure virtual
getOmegaI(bool grad=false)=0 (defined in WannierMinimizer)WannierMinimizerpure virtual
getWfns(const Kpoint &kpoint, int iSpin) const WannierMinimizerprotected
gInfoSuper (defined in WannierMinimizer)WannierMinimizerprotected
iCellMap (defined in WannierMinimizer)WannierMinimizerprotected
ikStart (defined in WannierMinimizer)WannierMinimizerprotected
ikStop (defined in WannierMinimizer)WannierMinimizerprotected
initialize(int iSpin)=0WannierMinimizerpure virtual
initTransformDependent() (defined in WannierMinimizer)WannierMinimizer
isMine(size_t ik) const (defined in WannierMinimizer)WannierMinimizerinlineprotected
isMine_q(int ik, int iSpin) const (defined in WannierMinimizer)WannierMinimizerinlineprotected
kDivision (defined in WannierMinimizer)WannierMinimizerprotected
kMeshWannierMinimizerprotected
kpointsWannierMinimizerprotected
minimize(const MinimizeParams &params)Minimizable< WannierGradient >
nBandsWannierMinimizerprotected
nCenters (defined in WannierMinimizer)WannierMinimizerprotected
needSuperWannierMinimizerprotected
nFrozen (defined in WannierMinimizer)WannierMinimizerprotected
nPhononModes (defined in WannierMinimizer)WannierMinimizerprotected
nSpinorWannierMinimizerprotected
nSpins (defined in WannierMinimizer)WannierMinimizerprotected
numericalOrbitals (defined in WannierMinimizer)WannierMinimizerprotected
overlap(const ColumnBundle &C1, const ColumnBundle &C2) const WannierMinimizerprotected
phononCellMap (defined in WannierMinimizer)WannierMinimizerprotected
pinned (defined in WannierMinimizer)WannierMinimizerprotected
precondition(const WannierGradient &grad) (defined in WannierMinimizer)WannierMinimizerprotectedvirtual
qCountWannierMinimizerprotected
qnumSuper (defined in WannierMinimizer)WannierMinimizerprotected
report(int iter)WannierMinimizervirtual
rExpectWannierMinimizerprotected
rPinnedWannierMinimizerprotected
rSqExpectWannierMinimizerprotected
safeStepSize(const WannierGradient &dir) constMinimizable< WannierGradient >inlinevirtual
saveMLWF() (defined in WannierMinimizer)WannierMinimizer
saveMLWF(int iSpin) (defined in WannierMinimizer)WannierMinimizer
step(const WannierGradient &grad, double alpha)WannierMinimizervirtual
sym (defined in WannierMinimizer)WannierMinimizerprotected
sync(double x) const WannierMinimizervirtual
transformMap (defined in WannierMinimizer)WannierMinimizerprotected
transformMapSuperWannierMinimizerprotected
trialWfns(const Kpoint &kpoint) const WannierMinimizerprotected
wannier (defined in WannierMinimizer)WannierMinimizerprotected
WannierGradient (defined in WannierMinimizer)WannierMinimizerfriend
WannierMinimizer(const Everything &e, const Wannier &wannier, bool needSuperOverride=false) (defined in WannierMinimizer)WannierMinimizer
whose(size_t ik) const (defined in WannierMinimizer)WannierMinimizerinlineprotected
whose_q(int ik, int iSpin) const (defined in WannierMinimizer)WannierMinimizerinlineprotected
~WannierMinimizer() (defined in WannierMinimizer)WannierMinimizerinlinevirtual