ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Adding API for the repulsion term to hippo/gpu

Browse Source
This commit is contained in:
Trung Nguyen
2021-09-28 23:42:04 -05:00
parent b95508125b
commit 17edd797a7
6 changed files with 104 additions and 4 deletions
Download Patch File Download Diff File Expand all files Collapse all files

17
lib/gpu/lal_hippo_ext.cpp
View File

@ -120,6 +120,23 @@ void hippo_gpu_clear() {
HIPPOMF.clear();
}
int** hippo_gpu_compute_repulsion(const int ago, const int inum_full,
const int nall, double **host_x, int *host_type,
int *host_amtype, int *host_amgroup, double **host_rpole,
double *sublo, double *subhi, tagint *tag, int **nspecial,
tagint **special, int *nspecial15, tagint** special15,
const bool eflag, const bool vflag, const bool eatom,
const bool vatom, int &host_start,
int **ilist, int **jnum, const double cpu_time,
bool &success, const double aewald, const double off2,
double *host_q, double *boxlo, double *prd, void **tep_ptr) {
return HIPPOMF.compute_repulsion(ago, inum_full, nall, host_x, host_type,
host_amtype, host_amgroup, host_rpole, sublo, subhi,
tag, nspecial, special, nspecial15, special15,
eflag, vflag, eatom, vatom, host_start, ilist, jnum,
cpu_time, success, aewald, off2, host_q, boxlo, prd, tep_ptr);
}
int** hippo_gpu_compute_dispersion_real(const int ago, const int inum_full,
const int nall, double **host_x, int *host_type,
int *host_amtype, int *host_amgroup, double **host_rpole,