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NonlinearPCM Member List

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

A_rhoNonESFluidSolver
accumExtraForces(IonicGradient *forces, const ScalarFieldTilde &A_nCavityTilde) const PCMprotected
AdielPCMprotected
applyMetric(const ScalarFieldTilde &) const NonlinearPCMprotectedvirtual
atomicNumbersPCMprotected
atpos (defined in FluidSolver)FluidSolver
axpy(double alpha, const ScalarFieldTilde &X, ScalarFieldTilde &Y) const NonlinearPCMinlineprotectedvirtual
bulkPotential() (defined in FluidSolver)FluidSolverinlinevirtual
clearState()Pulay< ScalarFieldTilde >
compute(ScalarFieldMuEps *grad, ScalarFieldMuEps *Kgrad)NonlinearPCMvirtual
constrain(ScalarFieldMuEps &)Minimizable< ScalarFieldMuEps >inlinevirtual
coulomb(const ScalarFieldTilde &rho) (defined in PCM)PCMinlineprotectedstatic
cycle(double dEprev, std::vector< double > &extraValues)NonlinearPCMprotectedvirtual
dot(const ScalarFieldTilde &X, const ScalarFieldTilde &Y) const NonlinearPCMinlineprotectedvirtual
dumpDebug(const char *filenamePattern) const PCMvirtual
dumpDensities(const char *filenamePattern) const NonlinearPCMvirtual
e (defined in FluidSolver)FluidSolver
epsBulk (defined in FluidSolver)FluidSolver
epsInfFluidSolver
fdTest(const MinimizeParams &params)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 NonlinearPCMprotectedvirtual
getFullCore() const PCMprotected
getSusceptibility(const std::vector< complex > &omega, std::vector< SusceptibilityTerm > &susceptibility, ScalarFieldTildeArray &sTilde) const FluidSolver
getSusceptibility_internal(const std::vector< complex > &omega, std::vector< SusceptibilityTerm > &susceptibility, ScalarFieldArray &sArr) const FluidSolverprotectedvirtual
getVariable() const NonlinearPCMprotectedvirtual
gInfo (defined in FluidSolver)FluidSolver
ionWidthMuCorrection() const FluidSolver
k2factorFluidSolver
loadState(const char *filename)NonlinearPCMvirtual
Minimizable< ScalarFieldMuEps >::minimize(const MinimizeParams &params)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()NonlinearPCMvirtual
nCavity (defined in PCM)PCMprotected
nCavityExPCMprotected
NonlinearPCM(const Everything &e, const FluidSolverParams &params)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 NonlinearPCMprotectedvirtual
prefersGummel() const NonlinearPCMinlinevirtual
printDebug(FILE *fp) const PCMinlineprotectedvirtual
propagateCavityGradients(const ScalarFieldArray &A_shape, ScalarField &A_nCavity, ScalarFieldTilde &A_rhoExplicitTilde, IonicGradient *forces) const PCMprotected
Pulay(const PulayParams &pp) (defined in Pulay< ScalarFieldTilde >)Pulay< ScalarFieldTilde >
readVariable(ScalarFieldTilde &X, FILE *fp) const NonlinearPCMprotectedvirtual
Minimizable< ScalarFieldMuEps >::report(int iter)Minimizable< ScalarFieldMuEps >inlinevirtual
Pulay< ScalarFieldTilde >::report(int iter)Pulay< ScalarFieldTilde >inlineprotectedvirtual
rhoExplicitTildePCMprotected
safeStepSize(const ScalarFieldMuEps &dir) constMinimizable< ScalarFieldMuEps >inlinevirtual
saveState(const char *filename) const NonlinearPCMvirtual
set(const ScalarFieldTilde &rhoExplicitTilde, const ScalarFieldTilde &nCavityTilde)FluidSolver
set_internal(const ScalarFieldTilde &rhoExplicitTilde, const ScalarFieldTilde &nCavityTilde)NonlinearPCMprotectedvirtual
setVariable(const ScalarFieldTilde &)NonlinearPCMprotectedvirtual
SfPCMprotected
shapePCMprotected
shapeVdwPCMprotected
stateNonlinearPCM
step(const ScalarFieldMuEps &dir, double alpha)NonlinearPCMvirtual
Minimizable< ScalarFieldMuEps >::sync(double x) constMinimizable< ScalarFieldMuEps >inlinevirtual
Pulay< ScalarFieldTilde >::sync(double x) constPulay< ScalarFieldTilde >inlinevirtual
tauCavity (defined in PCM)PCMprotected
updateCavity()PCMprotected
useGummel() const (defined in FluidSolver)FluidSolverinline
variableSize() const NonlinearPCMinlineprotectedvirtual
writeVariable(const ScalarFieldTilde &X, FILE *fp) const (defined in NonlinearPCM)NonlinearPCMprotectedvirtual
~FluidSolver() (defined in FluidSolver)FluidSolverinlinevirtual
~NonlinearPCM() (defined in NonlinearPCM)NonlinearPCMvirtual
~PCM() (defined in PCM)PCMvirtual