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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8810 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-09-21 15:57:23 +00:00
parent 8bcf139b73
commit 209999068c
53 changed files with 1733 additions and 1081 deletions
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10
lib/gpu/lal_eam.h
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@ -41,10 +41,10 @@ class EAM : public BaseAtomic<numtyp, acctyp> {
int init(const int ntypes, double host_cutforcesq, int **host_type2rhor,
int **host_type2z2r, int *host_type2frho, double ***host_rhor_spline,
double ***host_z2r_spline, double ***host_frho_spline, double rdr,
double rdrho, int nrhor, int nrho, int nz2r, int nfrho, int nr,
const int nlocal, const int nall, const int max_nbors,
const int maxspecial, const double cell_size, const double gpu_split,
FILE *_screen);
double rdrho, double rhomax, int nrhor, int nrho, int nz2r,
int nfrho, int nr, const int nlocal, const int nall,
const int max_nbors, const int maxspecial, const double cell_size,
const double gpu_split, FILE *_screen);
// Copy charges to device asynchronously
inline void add_fp_data() {
@ -112,7 +112,7 @@ class EAM : public BaseAtomic<numtyp, acctyp> {
UCL_D_Vec<numtyp4> frho_spline1, frho_spline2;
UCL_D_Vec<numtyp4> rhor_spline1, rhor_spline2;
numtyp _cutforcesq,_rdr,_rdrho;
numtyp _cutforcesq,_rdr,_rdrho, _rhomax;
int _nfrho,_nrhor,_nrho,_nz2r,_nr;