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pack4 cutoffs

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This commit is contained in:
Eddy Barraud
2024-06-05 11:40:24 +02:00
parent b187001f38
commit 9ea57acf54
5 changed files with 28 additions and 32 deletions
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6
lib/gpu/lal_dpd_charged_ext.cpp
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@ -56,7 +56,7 @@ int dpd_charged_gpu_init(const int ntypes, double **cutsq, double **host_a0,
int init_ok=0;
if (world_me==0)
init_ok=DPDCMF.init(ntypes, cutsq, host_a0, host_gamma, host_sigma,
host_cut, host_cut_dpd, host_cut_slater, special_lj, false, inum, nall, max_nbors,
host_cut, host_cut_dpd, host_cut_dpdsq, host_cut_slatersq, special_lj, false, inum, nall, max_nbors,
maxspecial, cell_size, gpu_split, screen);
DPDCMF.device->world_barrier();
@ -122,9 +122,9 @@ void dpd_charged_gpu_compute(const int ago, const int inum_full, const int nall,
}
void dpd_charged_gpu_update_coeff(int ntypes, double **host_a0, double **host_gamma,
double **host_sigma, double **host_cut, double **host_cut_dpd, **host_cut_slater)
double **host_sigma, double **host_cut, double **host_cut_dpd)
{
DPDCMF.update_coeff(ntypes,host_a0,host_gamma,host_sigma,host_cut, host_cut_dpd, host_cut_slater,);
DPDCMF.update_coeff(ntypes,host_a0,host_gamma,host_sigma,host_cut, host_cut_dpd);
}
void dpd_charged_gpu_get_extra_data(double *host_q) {