static void nbnxn_cuda_clear_e_fshift(NbnxmGpu* nb);
/* Fw. decl, */
-static void nbnxn_cuda_free_nbparam_table(cu_nbparam_t* nbparam);
+static void nbnxn_cuda_free_nbparam_table(NBParamGpu* nbparam);
/*! \brief Initialized the Ewald Coulomb correction GPU table.
it just re-uploads the table.
*/
static void init_ewald_coulomb_force_table(const EwaldCorrectionTables& tables,
- cu_nbparam_t* nbp,
+ NBParamGpu* nbp,
const DeviceContext& deviceContext)
{
if (nbp->coulomb_tab != nullptr)
}
/*! Copies all parameters related to the cut-off from ic to nbp */
-static void set_cutoff_parameters(cu_nbparam_t* nbp, const interaction_const_t* ic, const PairlistParams& listParams)
+static void set_cutoff_parameters(NBParamGpu* nbp, const interaction_const_t* ic, const PairlistParams& listParams)
{
nbp->ewald_beta = ic->ewaldcoeff_q;
nbp->sh_ewald = ic->sh_ewald;
}
/*! Initializes the nonbonded parameter data structure. */
-static void init_nbparam(cu_nbparam_t* nbp,
+static void init_nbparam(NBParamGpu* nbp,
const interaction_const_t* ic,
const PairlistParams& listParams,
const nbnxn_atomdata_t::Params& nbatParams,
{
return;
}
- NbnxmGpu* nb = nbv->gpu_nbv;
- cu_nbparam_t* nbp = nbv->gpu_nbv->nbparam;
+ NbnxmGpu* nb = nbv->gpu_nbv;
+ NBParamGpu* nbp = nbv->gpu_nbv->nbparam;
set_cutoff_parameters(nbp, ic, nbv->pairlistSets().params());
}
}
-static void nbnxn_cuda_free_nbparam_table(cu_nbparam_t* nbparam)
+static void nbnxn_cuda_free_nbparam_table(NBParamGpu* nbparam)
{
if (nbparam->eeltype == eelTypeEWALD_TAB || nbparam->eeltype == eelTypeEWALD_TAB_TWIN)
{
{
cudaError_t stat;
cu_atomdata_t* atdat;
- cu_nbparam_t* nbparam;
+ NBParamGpu* nbparam;
if (nb == nullptr)
{