JDFTx  1.7.0
FluidSolverParams.h File Reference
#include <electronic/ExCorr.h>
#include <fluid/FluidComponent.h>
#include <core/PulayParams.h>

Classes

struct  FmixParams
 Parameters needed to mix fluids. More...
 
struct  FluidSolverParams
 Extra parameters for fluids: More...
 

Macros

#define case_PCM_SCCS_any
 Check for any of the SCCS cases: More...
 

Enumerations

enum  FluidType {
  FluidNone , FluidLinearPCM , FluidNonlinearPCM , FluidSaLSA ,
  FluidClassicalDFT
}
 
enum  FluidSolveFrequency { FluidFreqInner , FluidFreqGummel , FluidFreqDefault }
 
enum  FMixFunctional { FMixNone , LJPotential , GaussianKernel }
 Mixing functional choices. More...
 
enum  PCMVariant {
  PCM_SaLSA , PCM_CANDLE , PCM_SGA13 , PCM_GLSSA13 ,
  PCM_LA12 , PCM_SoftSphere , PCM_FixedCavity , PCM_SCCS_g09 ,
  PCM_SCCS_g03 , PCM_SCCS_g03p , PCM_SCCS_g09beta , PCM_SCCS_g03beta ,
  PCM_SCCS_g03pbeta , PCM_SCCS_cation , PCM_SCCS_anion
}
 

Functions

bool isPCM_SCCS (PCMVariant pcmVariant)
 

Detailed Description

Parameters describing the fluids in the electronic code