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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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5
lib/gpu/lal_base_dpd.h
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@ -53,7 +53,7 @@ class BaseDPD {
const int maxspecial, const double cell_size,
const double gpu_split, FILE *screen,
const void *pair_program, const char *k_name,
const int onetype=0);
const int onetype=0, const int extra_fields=0);
/// Estimate the overhead for GPU context changes and CPU driver
void estimate_gpu_overhead();
@ -167,7 +167,6 @@ class BaseDPD {
/// Atom Data
Atom<numtyp,acctyp> *atom;
// ------------------------ FORCE/ENERGY DATA -----------------------
Answer<numtyp,acctyp> *ans;
@ -197,6 +196,8 @@ class BaseDPD {
numtyp _dtinvsqrt;
int _seed, _timestep;
int _extra_fields;
protected:
bool _compiled;
int _block_size, _threads_per_atom, _onetype;