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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