fcs_memd_p.h File Reference

file containing all memd specific functions More...

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

Include dependency graph for fcs_memd_p.h:

Go to the source code of this file.

Typedefs
typedef struct fcs_memd_parameters_t *	fcs_memd_parameters

Functions
FCSResult	fcs_memd_setup (FCS handle, fcs_float box_size, fcs_float timestep, fcs_int local_number_of_particles, fcs_int mesh_size, fcs_float lightspeed, fcs_float temperature, fcs_float permittivity)
	Function to set all memd parameters with a single call. More...
FCSResult	fcs_fcs_memd_set_box_size (FCS handle, fcs_float length_x, fcs_float length_y, fcs_float length_z)
FCSResult	fcs_fcs_memd_set_time_step (FCS handle, fcs_float timestep)
FCSResult	fcs_fcs_memd_set_total_number_of_particles (FCS handle, fcs_int number_of_particles)
FCSResult	fcs_fcs_memd_set_local_number_of_particles (FCS handle, fcs_int number_of_particles)
FCSResult	fcs_fcs_memd_set_init_flag (FCS handle, fcs_int flagvalue)
FCSResult	fcs_fcs_memd_set_mesh_size_1D (FCS handle, fcs_int mesh_size)
FCSResult	fcs_fcs_memd_set_speed_of_light (FCS handle, fcs_float lightspeed)
FCSResult	fcs_fcs_memd_set_permittivity (FCS handle, fcs_float epsilon)
FCSResult	fcs_fcs_memd_set_temperature (FCS handle, fcs_float temperature)
FCSResult	fcs_fcs_memd_set_bjerrum_length (FCS handle, fcs_float bjerrum)

Detailed Description

file containing all memd specific functions

Author

Florian Fahrenberger flori.nosp@m.an.f.nosp@m.ahren.nosp@m.berg.nosp@m.er@ic.nosp@m.p.un.nosp@m.i-stu.nosp@m.ttga.nosp@m.rt.de

Definition in file fcs_memd_p.h.

Typedef Documentation

fcs_memd_parameters

typedef struct fcs_memd_parameters_t* fcs_memd_parameters

Definition at line 35 of file fcs_memd_p.h.

Function Documentation

fcs_fcs_memd_set_bjerrum_length()

FCSResult fcs_fcs_memd_set_bjerrum_length	(	FCS	handle,
		fcs_float	bjerrum
	)

fcs_fcs_memd_set_box_size()

FCSResult fcs_fcs_memd_set_box_size	(	FCS	handle,
		fcs_float	length_x,
		fcs_float	length_y,
		fcs_float	length_z
	)

fcs_fcs_memd_set_init_flag()

FCSResult fcs_fcs_memd_set_init_flag	(	FCS	handle,
		fcs_int	flagvalue
	)

fcs_fcs_memd_set_local_number_of_particles()

FCSResult fcs_fcs_memd_set_local_number_of_particles	(	FCS	handle,
		fcs_int	number_of_particles
	)

fcs_fcs_memd_set_mesh_size_1D()

FCSResult fcs_fcs_memd_set_mesh_size_1D	(	FCS	handle,
		fcs_int	mesh_size
	)

fcs_fcs_memd_set_permittivity()

FCSResult fcs_fcs_memd_set_permittivity	(	FCS	handle,
		fcs_float	epsilon
	)

fcs_fcs_memd_set_speed_of_light()

FCSResult fcs_fcs_memd_set_speed_of_light	(	FCS	handle,
		fcs_float	lightspeed
	)

fcs_fcs_memd_set_temperature()

FCSResult fcs_fcs_memd_set_temperature	(	FCS	handle,
		fcs_float	temperature
	)

fcs_fcs_memd_set_time_step()

FCSResult fcs_fcs_memd_set_time_step	(	FCS	handle,
		fcs_float	timestep
	)

fcs_fcs_memd_set_total_number_of_particles()

FCSResult fcs_fcs_memd_set_total_number_of_particles	(	FCS	handle,
		fcs_int	number_of_particles
	)

fcs_memd_setup()

FCSResult fcs_memd_setup	(	FCS	handle,
		fcs_float	box_size,
		fcs_float	timestep,
		fcs_int	local_number_of_particles,
		fcs_int	mesh_size,
		fcs_float	lightspeed,
		fcs_float	temperature,
		fcs_float	permittivity
	)

Function to set all memd parameters with a single call.

Parameters

handle	FCS-object that contains the parameters
box_size
timestep
local_number_of_particles
mesh_size
lightspeed
temperature
permittivity

Returns

FCSResult-object containing the return value.