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Added atom tag for dpd to work with tag and v

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This commit is contained in:
Trung Nguyen
2023-12-08 00:20:53 -06:00
parent 7fad795141
commit 0f78afc66f
4 changed files with 13 additions and 17 deletions
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8
lib/gpu/lal_sph_lj_ext.cpp
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@ -94,15 +94,14 @@ void sph_lj_gpu_clear() {
int ** sph_lj_gpu_compute_n(const int ago, const int inum_full, const int nall,
double **host_x, int *host_type, double *sublo,
double *subhi, int **nspecial,
double *subhi, tagint *tag, int **nspecial,
tagint **special, 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,
double **host_v, double *boxlo, double *prd) {
double dtinvsqrt = 1.0;
int seed = 0;
int timestep = 0;
tagint* tag = nullptr;
int timestep = 0;
return SPHLJMF.compute(ago, inum_full, nall, host_x, host_type, sublo,
subhi, tag, nspecial, special, eflag, vflag, eatom,
vatom, host_start, ilist, jnum, cpu_time, success,
@ -113,12 +112,11 @@ void sph_lj_gpu_compute(const int ago, const int inum_full, const int nall,
double **host_x, int *host_type, int *ilist, int *numj,
int **firstneigh, const bool eflag, const bool vflag,
const bool eatom, const bool vatom, int &host_start,
const double cpu_time, bool &success,
const double cpu_time, bool &success, tagint *tag,
double **host_v, const int nlocal, double *boxlo, double *prd) {
double dtinvsqrt = 1.0;
int seed = 0;
int timestep = 0;
tagint* tag = nullptr;
SPHLJMF.compute(ago, inum_full, nall, host_x, host_type, ilist, numj,
firstneigh, eflag, vflag, eatom, vatom, host_start, cpu_time, success,
tag, host_v, dtinvsqrt, seed, timestep, nlocal, boxlo, prd);