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Added the GPU versions of lj/cut/coul/cut/soft and lj/cut/coul/long/soft

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This commit is contained in:
Trung Nguyen
2023-12-05 13:30:26 -06:00
parent 8389e2eb80
commit 9588ddabf6
18 changed files with 2023 additions and 14 deletions
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6
lib/gpu/lal_base_dpd.cpp
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@ -56,7 +56,8 @@ int BaseDPDT::init_atomic(const int nlocal, const int nall,
const int max_nbors, const int maxspecial,
const double cell_size, const double gpu_split,
FILE *_screen, const void *pair_program,
const char *k_name, const int onetype) {
const char *k_name, const int onetype,
const int extra_fields) {
screen=_screen;
int gpu_nbor=0;
@ -75,7 +76,8 @@ int BaseDPDT::init_atomic(const int nlocal, const int nall,
bool charge = false;
bool rot = false;
bool vel = true;
int success=device->init(*ans,charge,rot,nlocal,nall,maxspecial,vel);
_extra_fields = extra_fields;
int success=device->init(*ans,charge,rot,nlocal,nall,maxspecial,vel,_extra_fields/4);
if (success!=0)
return success;