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JDFTx
1.5.0
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JDFTx
1.5.0
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This is the complete list of members for NonlinearPCM, including all inherited members.
| A_rhoNonES | FluidSolver | |
| accumExtraForces(IonicGradient *forces, const ScalarFieldTilde &A_nCavityTilde) const | PCM | protected |
| Adiel | PCM | protected |
| applyMetric(const ScalarFieldTilde &) const | NonlinearPCM | protectedvirtual |
| atomicNumbers | PCM | protected |
| atpos (defined in FluidSolver) | FluidSolver | |
| axpy(double alpha, const ScalarFieldTilde &X, ScalarFieldTilde &Y) const | NonlinearPCM | inlineprotectedvirtual |
| bulkPotential() (defined in FluidSolver) | FluidSolver | inlinevirtual |
| clearState() | Pulay< ScalarFieldTilde > | |
| compute(ScalarFieldMuEps *grad, ScalarFieldMuEps *Kgrad) | NonlinearPCM | virtual |
| constrain(ScalarFieldMuEps &) | Minimizable< ScalarFieldMuEps > | inlinevirtual |
| coulomb(const ScalarFieldTilde &rho) (defined in PCM) | PCM | inlineprotectedstatic |
| cycle(double dEprev, std::vector< double > &extraValues) | NonlinearPCM | protectedvirtual |
| dot(const ScalarFieldTilde &X, const ScalarFieldTilde &Y) const | NonlinearPCM | inlineprotectedvirtual |
| dumpDebug(const char *filenamePattern) const | PCM | virtual |
| dumpDensities(const char *filenamePattern) const | NonlinearPCM | virtual |
| e (defined in FluidSolver) | FluidSolver | |
| epsBulk (defined in FluidSolver) | FluidSolver | |
| epsInf | FluidSolver | |
| fdTest(const MinimizeParams ¶ms) | Minimizable< ScalarFieldMuEps > | |
| FluidSolver(const Everything &e, const FluidSolverParams &fsp) | FluidSolver | |
| fsp (defined in FluidSolver) | FluidSolver | |
| get_Adiel_and_grad(ScalarFieldTilde *Adiel_rhoExplicitTilde=0, ScalarFieldTilde *Adiel_nCavityTilde=0, IonicGradient *extraForces=0) const | FluidSolver | |
| get_Adiel_and_grad_internal(ScalarFieldTilde &Adiel_rhoExplicitTilde, ScalarFieldTilde &Adiel_nCavityTilde, IonicGradient *extraForces) const | NonlinearPCM | protectedvirtual |
| getFullCore() const | PCM | protected |
| getResidual() const | Pulay< ScalarFieldTilde > | protectedvirtual |
| getSusceptibility(const std::vector< complex > &omega, std::vector< SusceptibilityTerm > &susceptibility, ScalarFieldTildeArray &sTilde, bool elecOnly) const | FluidSolver | |
| getSusceptibility_internal(const std::vector< complex > &omega, std::vector< SusceptibilityTerm > &susceptibility, ScalarFieldArray &sArr, bool elecOnly) const | FluidSolver | protectedvirtual |
| getVariable() const | NonlinearPCM | protectedvirtual |
| gInfo (defined in FluidSolver) | FluidSolver | |
| ionWidthMuCorrection() const | FluidSolver | |
| k2factor | FluidSolver | |
| loadState(const char *filename) | NonlinearPCM | virtual |
| Minimizable< ScalarFieldMuEps >::minimize(const MinimizeParams ¶ms) | Minimizable< ScalarFieldMuEps > | |
| Pulay< ScalarFieldTilde >::minimize(double Eprev=+DBL_MAX, std::vector< string > extraNames=std::vector< string >(), std::vector< double > extraThresh=std::vector< double >()) | Pulay< ScalarFieldTilde > | |
| minimizeFluid() | NonlinearPCM | virtual |
| nCavity (defined in PCM) | PCM | protected |
| nCavityEx | PCM | protected |
| NonlinearPCM(const Everything &e, const FluidSolverParams ¶ms) | NonlinearPCM | |
| operator()(const ScalarFieldMuEps &state, ScalarFieldMuEps &Adiel_state, ScalarFieldTilde *Adiel_rhoExplicitTilde=0, ScalarFieldTilde *Adiel_nCavityTilde=0, IonicGradient *forces=0) const | NonlinearPCM | |
| PCM(const Everything &e, const FluidSolverParams &fsp) (defined in PCM) | PCM | |
| precondition(const ScalarFieldTilde &) const | NonlinearPCM | protectedvirtual |
| prefersGummel() const | NonlinearPCM | inlinevirtual |
| printDebug(FILE *fp) const | PCM | inlineprotectedvirtual |
| propagateCavityGradients(const ScalarFieldArray &A_shape, ScalarField &A_nCavity, ScalarFieldTilde &A_rhoExplicitTilde, IonicGradient *forces) const | PCM | protected |
| Pulay(const PulayParams &pp) (defined in Pulay< ScalarFieldTilde >) | Pulay< ScalarFieldTilde > | |
| readVariable(ScalarFieldTilde &X, FILE *fp) const | NonlinearPCM | protectedvirtual |
| Minimizable< ScalarFieldMuEps >::report(int iter) | Minimizable< ScalarFieldMuEps > | inlinevirtual |
| Pulay< ScalarFieldTilde >::report(int iter) | Pulay< ScalarFieldTilde > | inlineprotectedvirtual |
| rhoExplicitTilde | PCM | protected |
| safeStepSize(const ScalarFieldMuEps &dir) const | Minimizable< ScalarFieldMuEps > | inlinevirtual |
| saveState(const char *filename) const | NonlinearPCM | virtual |
| set(const ScalarFieldTilde &rhoExplicitTilde, const ScalarFieldTilde &nCavityTilde) | FluidSolver | |
| set_internal(const ScalarFieldTilde &rhoExplicitTilde, const ScalarFieldTilde &nCavityTilde) | NonlinearPCM | protectedvirtual |
| setVariable(const ScalarFieldTilde &) | NonlinearPCM | protectedvirtual |
| Sf | PCM | protected |
| shape | PCM | protected |
| shapeVdw | PCM | protected |
| state | NonlinearPCM | |
| step(const ScalarFieldMuEps &dir, double alpha) | NonlinearPCM | virtual |
| Minimizable< ScalarFieldMuEps >::sync(double x) const | Minimizable< ScalarFieldMuEps > | inlinevirtual |
| Pulay< ScalarFieldTilde >::sync(double x) const | Pulay< ScalarFieldTilde > | inlinevirtual |
| tauCavity (defined in PCM) | PCM | protected |
| updateCavity() | PCM | protected |
| useGummel() const (defined in FluidSolver) | FluidSolver | inline |
| variableSize() const | NonlinearPCM | inlineprotectedvirtual |
| writeVariable(const ScalarFieldTilde &X, FILE *fp) const (defined in NonlinearPCM) | NonlinearPCM | protectedvirtual |
| ~FluidSolver() (defined in FluidSolver) | FluidSolver | inlinevirtual |
| ~NonlinearPCM() (defined in NonlinearPCM) | NonlinearPCM | virtual |
| ~PCM() (defined in PCM) | PCM | virtual |