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JDFTx
1.3.0
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JDFTx
1.3.0
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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 | WannierMinimizer | protected |
| axpyWfns_grad(double alpha, matrix &Omega_A, const Kpoint &kpoint, int iSpin, const ColumnBundle &Omega_result) const | WannierMinimizer | protected |
| basis | WannierMinimizer | protected |
| basisSuper (defined in WannierMinimizer) | WannierMinimizer | protected |
| basisSuperWrapper | WannierMinimizer | protected |
| basisWrapper (defined in WannierMinimizer) | WannierMinimizer | protected |
| compute(WannierGradient *grad, WannierGradient *Kgrad) | WannierMinimizer | virtual |
| constrain(WannierGradient &grad) | WannierMinimizer | virtual |
| Cother (defined in WannierMinimizer) | WannierMinimizer | protected |
| dumpMatrix(const matrix &H, string varName, bool realPartOnly, int iSpin) const (defined in WannierMinimizer) | WannierMinimizer | protected |
| e (defined in WannierMinimizer) | WannierMinimizer | protected |
| fdTest(const MinimizeParams ¶ms) | Minimizable< WannierGradient > | |
| fixUnitary(const matrix &U) (defined in WannierMinimizer) | WannierMinimizer | protectedstatic |
| getOmega(bool grad=false)=0 | WannierMinimizer | pure virtual |
| getOmegaI(bool grad=false)=0 (defined in WannierMinimizer) | WannierMinimizer | pure virtual |
| getWfns(const Kpoint &kpoint, int iSpin) const | WannierMinimizer | protected |
| gInfoSuper (defined in WannierMinimizer) | WannierMinimizer | protected |
| ikStart (defined in WannierMinimizer) | WannierMinimizer | protected |
| ikStop (defined in WannierMinimizer) | WannierMinimizer | protected |
| initialize(int iSpin)=0 | WannierMinimizer | pure virtual |
| initTransformDependent() (defined in WannierMinimizer) | WannierMinimizer | |
| invsqrtM (defined in WannierMinimizer) | WannierMinimizer | protected |
| isMine(size_t ik) const (defined in WannierMinimizer) | WannierMinimizer | inlineprotected |
| isMine_q(int ik, int iSpin) const (defined in WannierMinimizer) | WannierMinimizer | inlineprotected |
| kDivision (defined in WannierMinimizer) | WannierMinimizer | protected |
| kMesh | WannierMinimizer | protected |
| kpoints | WannierMinimizer | protected |
| minimize(const MinimizeParams ¶ms) | Minimizable< WannierGradient > | |
| nBands | WannierMinimizer | protected |
| nCenters (defined in WannierMinimizer) | WannierMinimizer | protected |
| needSuper | WannierMinimizer | protected |
| nFrozen (defined in WannierMinimizer) | WannierMinimizer | protected |
| nPhononModes (defined in WannierMinimizer) | WannierMinimizer | protected |
| nSpinor | WannierMinimizer | protected |
| nSpins (defined in WannierMinimizer) | WannierMinimizer | protected |
| numericalOrbitals (defined in WannierMinimizer) | WannierMinimizer | protected |
| overlap(const ColumnBundle &C1, const ColumnBundle &C2) const | WannierMinimizer | protected |
| pinned (defined in WannierMinimizer) | WannierMinimizer | protected |
| precondition(const WannierGradient &grad) (defined in WannierMinimizer) | WannierMinimizer | protectedvirtual |
| qCount | WannierMinimizer | protected |
| qnumSuper (defined in WannierMinimizer) | WannierMinimizer | protected |
| report(int iter) | WannierMinimizer | virtual |
| rExpect | WannierMinimizer | protected |
| rPinned | WannierMinimizer | protected |
| rSqExpect | WannierMinimizer | protected |
| safeStepSize(const WannierGradient &dir) const | Minimizable< WannierGradient > | inlinevirtual |
| saveMLWF() (defined in WannierMinimizer) | WannierMinimizer | |
| saveMLWF(int iSpin) (defined in WannierMinimizer) | WannierMinimizer | |
| step(const WannierGradient &grad, double alpha) | WannierMinimizer | virtual |
| sym (defined in WannierMinimizer) | WannierMinimizer | protected |
| sync(double x) const | WannierMinimizer | virtual |
| transformMap (defined in WannierMinimizer) | WannierMinimizer | protected |
| transformMapSuper | WannierMinimizer | protected |
| trialWfns(const Kpoint &kpoint) const | WannierMinimizer | protected |
| wannier (defined in WannierMinimizer) | WannierMinimizer | protected |
| WannierGradient (defined in WannierMinimizer) | WannierMinimizer | friend |
| WannierMinimizer(const Everything &e, const Wannier &wannier, bool needSuperOverride=false) (defined in WannierMinimizer) | WannierMinimizer | |
| whose(size_t ik) const (defined in WannierMinimizer) | WannierMinimizer | inlineprotected |
| whose_q(int ik, int iSpin) const (defined in WannierMinimizer) | WannierMinimizer | inlineprotected |
| ~WannierMinimizer() (defined in WannierMinimizer) | WannierMinimizer | inlinevirtual |