/*! Apply force switch, force + energy version. */
gmx_opencl_inline
-void calculate_force_switch_F(cl_nbparam_params_t *nbparam,
- float c6,
- float c12,
- float inv_r,
- float r2,
- float *F_invr)
+void calculate_force_switch_F(const cl_nbparam_params_t *nbparam,
+ float c6,
+ float c12,
+ float inv_r,
+ float r2,
+ float *F_invr)
{
float r, r_switch;
/*! Apply force switch, force-only version. */
gmx_opencl_inline
-void calculate_force_switch_F_E(cl_nbparam_params_t *nbparam,
- float c6,
- float c12,
- float inv_r,
- float r2,
- float *F_invr,
- float *E_lj)
+void calculate_force_switch_F_E(const cl_nbparam_params_t *nbparam,
+ float c6,
+ float c12,
+ float inv_r,
+ float r2,
+ float *F_invr,
+ float *E_lj)
{
float r, r_switch;
/*! Apply potential switch, force-only version. */
gmx_opencl_inline
-void calculate_potential_switch_F(cl_nbparam_params_t *nbparam,
- float inv_r,
- float r2,
- float *F_invr,
- const float *E_lj)
+void calculate_potential_switch_F(const cl_nbparam_params_t *nbparam,
+ float inv_r,
+ float r2,
+ float *F_invr,
+ const float *E_lj)
{
float r, r_switch;
float sw, dsw;
/*! Apply potential switch, force + energy version. */
gmx_opencl_inline
-void calculate_potential_switch_F_E(cl_nbparam_params_t *nbparam,
- float inv_r,
- float r2,
- float *F_invr,
- float *E_lj)
+void calculate_potential_switch_F_E(const cl_nbparam_params_t *nbparam,
+ float inv_r,
+ float r2,
+ float *F_invr,
+ float *E_lj)
{
float r, r_switch;
float sw, dsw;
* geometric combination rule.
*/
gmx_opencl_inline
-void calculate_lj_ewald_comb_geom_F_E(__constant const float *nbfp_comb_climg2d,
- cl_nbparam_params_t *nbparam,
- int typei,
- int typej,
- float r2,
- float inv_r2,
- float lje_coeff2,
- float lje_coeff6_6,
- float int_bit,
- float *F_invr,
- float *E_lj)
+void calculate_lj_ewald_comb_geom_F_E(__constant const float *nbfp_comb_climg2d,
+ const cl_nbparam_params_t *nbparam,
+ int typei,
+ int typej,
+ float r2,
+ float inv_r2,
+ float lje_coeff2,
+ float lje_coeff6_6,
+ float int_bit,
+ float *F_invr,
+ float *E_lj)
{
float c6grid, inv_r6_nm, cr2, expmcr2, poly, sh_mask;
* of this is pretty small and LB on the CPU is anyway very slow.
*/
gmx_opencl_inline
-void calculate_lj_ewald_comb_LB_F_E(__constant const float *nbfp_comb_climg2d,
- cl_nbparam_params_t *nbparam,
- int typei,
- int typej,
- float r2,
- float inv_r2,
- float lje_coeff2,
- float lje_coeff6_6,
- float int_bit,
- bool with_E_lj,
- float *F_invr,
- float *E_lj)
+void calculate_lj_ewald_comb_LB_F_E(__constant const float *nbfp_comb_climg2d,
+ const cl_nbparam_params_t *nbparam,
+ int typei,
+ int typej,
+ float r2,
+ float inv_r2,
+ float lje_coeff2,
+ float lje_coeff6_6,
+ float int_bit,
+ bool with_E_lj,
+ float *F_invr,
+ float *E_lj)
{
float c6grid, inv_r6_nm, cr2, expmcr2, poly;
float sigma, sigma2, epsilon;