Renaming charmm external functions.
This commit is contained in:
@ -26,7 +26,7 @@ static CHARMMLong<PRECISION,ACC_PRECISION> CRMLMF;
|
||||
// ---------------------------------------------------------------------------
|
||||
// Allocate memory on host and device and copy constants to device
|
||||
// ---------------------------------------------------------------------------
|
||||
int charmm_long_ext_init(const int ntypes, double cut_bothsq, double **host_lj1,
|
||||
int crml_gpu_init(const int ntypes, double cut_bothsq, double **host_lj1,
|
||||
double **host_lj2, double **host_lj3, double **host_lj4,
|
||||
double **offset, double *special_lj, const int inum,
|
||||
const int nall, const int max_nbors, const int maxspecial,
|
||||
@ -97,11 +97,11 @@ int charmm_long_ext_init(const int ntypes, double cut_bothsq, double **host_lj1,
|
||||
return init_ok;
|
||||
}
|
||||
|
||||
void charmm_long_ext_clear() {
|
||||
void crml_gpu_clear() {
|
||||
CRMLMF.clear();
|
||||
}
|
||||
|
||||
int** charmm_long_ext_compute_n(const int ago, const int inum_full,
|
||||
int** crml_gpu_compute_n(const int ago, const int inum_full,
|
||||
const int nall, double **host_x, int *host_type,
|
||||
double *sublo, double *subhi, int *tag, int **nspecial,
|
||||
int **special, const bool eflag, const bool vflag,
|
||||
@ -115,7 +115,7 @@ int** charmm_long_ext_compute_n(const int ago, const int inum_full,
|
||||
host_q, boxlo, prd);
|
||||
}
|
||||
|
||||
void charmm_long_ext_compute(const int ago, const int inum_full,
|
||||
void crml_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,
|
||||
@ -127,7 +127,7 @@ void charmm_long_ext_compute(const int ago, const int inum_full,
|
||||
nlocal,boxlo,prd);
|
||||
}
|
||||
|
||||
double charmm_long_ext_bytes() {
|
||||
double crml_gpu_bytes() {
|
||||
return CRMLMF.host_memory_usage();
|
||||
}
|
||||
|
||||
|
||||
Reference in New Issue
Block a user