Solvation models

Files
file	NonlinearPCM.h
file	PCM_internal.h

Namespaces
	NonlinearPCMeval
	Helper classes for NonlinearPCM.
	ShapeFunction
	Original shape function from [22], [14] and [11].
	ShapeFunctionCANDLE
	Shape function in CANDLE [29].
	ShapeFunctionSGA13
	Shape function for [32].
	ShapeFunctionSoftSphere
	Shape function for the soft-sphere model [7].
	ShapeFunctionSCCS
	Shape function for SCCS models [1].

Classes
class	LinearPCM
	Linear solvation models: shared electrostatics implementation. More...
class	NonlinearPCM
	Nonlinear solvation models: shared electrostatic part implementation. More...
class	PCM
	Base class for all PCMs. More...
class	SaLSA
	Nonlocal SaLSA [34] solvation model implementation (electrostatic part) More...

Macros
#define	FLUID_DUMP(object, suffix)
	Convenient macro for dumping scalar fields in dumpDensities() or dumpDebug() More...

Typedefs
typedef ScalarFieldMultiplet < ScalarFieldData, 5 >	ScalarFieldMuEps
	ion chemical potentials and effective local electric field

Detailed Description

Macro Definition Documentation

#define FLUID_DUMP	(		object,
			suffix
	)

Value:

filename = filenamePattern; \
                filename.replace(filename.find("%s"), 2, suffix); \
		logPrintf("Dumping '%s'... ", filename.c_str());  logFlush(); \
                if(mpiWorld->isHead()) saveRawBinary(object, filename.c_str()); \
		logPrintf("done.\n"); logFlush();

Convenient macro for dumping scalar fields in dumpDensities() or dumpDebug()