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Added udirect2b and umutual2b for hippo

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This commit is contained in:
Trung Nguyen
2021-09-28 14:59:39 -05:00
parent 8d54547bc0
commit e80eea56ba
10 changed files with 426 additions and 131 deletions
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8
lib/gpu/lal_hippo_ext.cpp
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@ -157,7 +157,7 @@ int** hippo_gpu_compute_multipole_real(const int ago, const int inum_full,
int** hippo_gpu_compute_udirect2b(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 **host_uind, double **host_uinp,
double **host_uind, double **host_uinp, double *host_pval,
double *sublo, double *subhi, tagint *tag, int **nspecial,
tagint **special, int *nspecial15, tagint** special15,
const bool eflag, const bool vflag, const bool eatom,
@ -166,7 +166,7 @@ int** hippo_gpu_compute_udirect2b(const int ago, const int inum_full,
bool &success, const double aewald, const double off2, double *host_q,
double *boxlo, double *prd, void **fieldp_ptr) {
return HIPPOMF.compute_udirect2b(ago, inum_full, nall, host_x, host_type,
host_amtype, host_amgroup, host_rpole, host_uind, host_uinp,
host_amtype, host_amgroup, host_rpole, host_uind, host_uinp, host_pval,
sublo, subhi, tag, nspecial, special, nspecial15, special15,
eflag, vflag, eatom, vatom, host_start, ilist, jnum,
cpu_time, success, aewald, off2, host_q, boxlo, prd, fieldp_ptr);
@ -175,7 +175,7 @@ int** hippo_gpu_compute_udirect2b(const int ago, const int inum_full,
int** hippo_gpu_compute_umutual2b(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 **host_uind, double **host_uinp,
double **host_uind, double **host_uinp, double *host_pval,
double *sublo, double *subhi, tagint *tag, int **nspecial,
tagint **special, int *nspecial15, tagint** special15,
const bool eflag, const bool vflag,
@ -184,7 +184,7 @@ int** hippo_gpu_compute_umutual2b(const int ago, const int inum_full,
bool &success, const double aewald, const double off2, double *host_q,
double *boxlo, double *prd, void **fieldp_ptr) {
return HIPPOMF.compute_umutual2b(ago, inum_full, nall, host_x, host_type,
host_amtype, host_amgroup, host_rpole, host_uind, host_uinp,
host_amtype, host_amgroup, host_rpole, host_uind, host_uinp, host_pval,
sublo, subhi, tag, nspecial, special, nspecial15, special15,
eflag, vflag, eatom, vatom, host_start, ilist, jnum,
cpu_time, success, aewald, off2, host_q, boxlo, prd, fieldp_ptr);