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Feb2021 GPU Package Update - GPU Package Files

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This commit is contained in:
Michael Brown
2021-02-15 08:20:50 -08:00
parent 16004e8f45
commit e7e2d2323b
345 changed files with 13424 additions and 7708 deletions
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10
lib/gpu/lal_tersoff_zbl.h
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@ -65,7 +65,7 @@ class TersoffZBL : public BaseThree<numtyp, acctyp> {
bool shared_types;
/// Number of atom types
int _lj_types;
int _ntypes;
/// ts1.x = lam1, ts1.y = lam2, ts1.z = lam3, ts1.w = powermint
UCL_D_Vec<numtyp4> ts1;
@ -80,7 +80,7 @@ class TersoffZBL : public BaseThree<numtyp, acctyp> {
/// ts6.x = Z_i, ts6.y = Z_j, ts6.z = ZBLcut, ts6.w = ZBLexpscale
UCL_D_Vec<numtyp4> ts6;
UCL_D_Vec<numtyp> cutsq;
UCL_D_Vec<numtyp> cutsq_pair;
UCL_D_Vec<int> elem2param;
UCL_D_Vec<int> map;
@ -91,15 +91,13 @@ class TersoffZBL : public BaseThree<numtyp, acctyp> {
/// zetaij.w = zetaij
UCL_D_Vec<acctyp4> _zetaij;
UCL_Kernel k_zeta;
UCL_Texture ts1_tex, ts2_tex, ts3_tex, ts4_tex, ts5_tex, ts6_tex;
UCL_Kernel k_zeta, k_zeta_noev, *k_zeta_selt;
numtyp _global_e,_global_a_0,_global_epsilon_0;
numtyp _cutshortsq;
private:
bool _allocated;
void loop(const bool _eflag, const bool _vflag, const int evatom);
int loop(const int eflag, const int vflag, const int evatom, bool &success);
};
}