fcs_wolf_p.h File Reference

file containing the method specific interface functions of the wolf solver (public version) More...

#include "fcs_definitions.h"
#include "fcs_result_p.h"
#include "fcs_interface_p.h"

Include dependency graph for fcs_wolf_p.h:

Go to the source code of this file.

Typedefs
typedef struct fcs_wolf_parameters_t *	fcs_wolf_parameters
	data structure with parameters of the wolf solver More...

Functions
FCSResult	fcs_wolf_set_cutoff (FCS handle, fcs_float cutoff)
	function to set the cutoff radius More...
FCSResult	fcs_wolf_get_cutoff (FCS handle, fcs_float *cutoff)
	function to get the current cutoff radius More...
FCSResult	fcs_wolf_set_alpha (FCS handle, fcs_float alpha)
	function to set the ewald splitting parameter alpha More...
FCSResult	fcs_wolf_get_alpha (FCS handle, fcs_float *alpha)
	function to get the current ewald splitting parameter alpha More...
FCSResult	fcs_wolf_setup (FCS handle, fcs_float cutoff, fcs_float alpha)
	function to set all solver parameters More...
void	fcs_wolf_setup_f (void *handle, fcs_float cutoff, fcs_float alpha, fcs_int *return_value)
	function to set all solver parameters (Fortran wrapper) More...

Detailed Description

file containing the method specific interface functions of the wolf solver (public version)

Author

Michael Hofmann

Definition in file fcs_wolf_p.h.

Typedef Documentation

fcs_wolf_parameters

typedef struct fcs_wolf_parameters_t* fcs_wolf_parameters

data structure with parameters of the wolf solver

Definition at line 42 of file fcs_wolf_p.h.

Function Documentation

fcs_wolf_get_alpha()

FCSResult fcs_wolf_get_alpha	(	FCS	handle,
		fcs_float *	alpha
	)

function to get the current ewald splitting parameter alpha

Parameters

handle	FCS-object
alpha	current ewald splitting parameter alpha

Returns

FCSResult-object containing the return state

fcs_wolf_get_cutoff()

FCSResult fcs_wolf_get_cutoff	(	FCS	handle,
		fcs_float *	cutoff
	)

function to get the current cutoff radius

Parameters

handle	FCS-object
cutoff	current cutoff radius

Returns

FCSResult-object containing the return state

fcs_wolf_set_alpha()

FCSResult fcs_wolf_set_alpha	(	FCS	handle,
		fcs_float	alpha
	)

function to set the ewald splitting parameter alpha

Parameters

handle	FCS-object
alpha	ewald splitting parameter alpha

Returns

FCSResult-object containing the return state

fcs_wolf_set_cutoff()

FCSResult fcs_wolf_set_cutoff	(	FCS	handle,
		fcs_float	cutoff
	)

function to set the cutoff radius

Parameters

handle	FCS-object
cutoff	cutoff radius

Returns

FCSResult-object containing the return state

fcs_wolf_setup()

FCSResult fcs_wolf_setup	(	FCS	handle,
		fcs_float	cutoff,
		fcs_float	alpha
	)

function to set all solver parameters

Parameters

handle	FCS-object
cutoff	cutoff radius (see fcs_wolf_set_cutoff)
alpha	ewald splitting parameter alpha (see fcs_wolf_set_alpha)

Returns

FCSResult-object containing the return state

fcs_wolf_setup_f()

void fcs_wolf_setup_f	(	void *	handle,
		fcs_float	cutoff,
		fcs_float	alpha,
		fcs_int *	return_value
	)

function to set all solver parameters (Fortran wrapper)

Parameters

handle	FCS-object
cutoff	cutoff radius (see fcs_wolf_set_cutoff)
alpha	ewald splitting parameter alpha (see fcs_wolf_set_alpha)
return_value	return state