#include <gromacs/mdlib/nbnxn_ocl/nbnxn_ocl_types.h>

Description

Data structure shared between the OpenCL device code and OpenCL host code.

Must not contain OpenCL objects (buffers) TODO: review, improve

Public Attributes
int	eeltype
	type of electrostatics, takes values from eelCu

int	vdwtype
	type of VdW impl., takes values from evdwCu

float	epsfac
	charge multiplication factor

float	c_rf
	Reaction-field/plain cutoff electrostatics const. More...

float	two_k_rf
	Reaction-field electrostatics constant.

float	ewald_beta
	Ewald/PME parameter.

float	sh_ewald
	Ewald/PME correction term substracted from the direct-space potential.

float	sh_lj_ewald
	LJ-Ewald/PME correction term added to the correction potential.

float	ewaldcoeff_lj
	LJ-Ewald/PME coefficient.

float	rcoulomb_sq
	Coulomb cut-off squared.

float	rvdw_sq
	VdW cut-off squared.

float	rvdw_switch
	VdW switched cut-off.

float	rlist_sq
	pair-list cut-off squared

shift_consts_t	dispersion_shift
	VdW shift dispersion constants.

shift_consts_t	repulsion_shift
	VdW shift repulsion constants.

switch_consts_t	vdw_switch
	VdW switch constants.

int	coulomb_tab_size
	table size (s.t. More...

float	coulomb_tab_scale
	table scale/spacing

Member Data Documentation

float cl_nbparam_params::c_rf

Reaction-field/plain cutoff electrostatics const.

int cl_nbparam_params::coulomb_tab_size

table size (s.t.

it fits in texture cache)

The documentation for this struct was generated from the following file: