ScaFaCoS  1.0.1
Scalable Fast Coulomb Solvers
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
handleFCS-object that contains the parameters
box_size
timestep
local_number_of_particles
mesh_size
lightspeed
temperature
permittivity
Returns
FCSResult-object containing the return value.