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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10667 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-08-23 14:41:20 +00:00
parent 4047288238
commit 402d1a8605
105 changed files with 2003 additions and 954 deletions
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12
lib/gpu/lal_eam.cpp
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@ -66,7 +66,7 @@ int EAMT::init(const int ntypes, double host_cutforcesq, int **host_type2rhor,
ef_nall=2000;
_max_fp_size=static_cast<int>(static_cast<double>(ef_nall)*1.10);
_fp.alloc(_max_fp_size,*(this->ucl_device),UCL_RW_OPTIMIZED,UCL_WRITE_ONLY);
_fp.alloc(_max_fp_size,*(this->ucl_device),UCL_READ_WRITE,UCL_READ_WRITE);
k_energy.set_function(*(this->pair_program),"k_energy");
k_energy_fast.set_function(*(this->pair_program),"k_energy_fast");
@ -106,7 +106,7 @@ int EAMT::init(const int ntypes, double host_cutforcesq, int **host_type2rhor,
_nr=nr;
UCL_H_Vec<int2> dview_type(lj_types*lj_types,*(this->ucl_device),
UCL_WRITE_OPTIMIZED);
UCL_WRITE_ONLY);
for (int i=0; i<lj_types*lj_types; i++) {
dview_type[i].x=0; dview_type[i].y=0;
@ -126,7 +126,7 @@ int EAMT::init(const int ntypes, double host_cutforcesq, int **host_type2rhor,
// pack type2frho
UCL_H_Vec<int> dview_type2frho(lj_types,*(this->ucl_device),
UCL_WRITE_OPTIMIZED);
UCL_WRITE_ONLY);
type2frho.alloc(lj_types,*(this->ucl_device),UCL_READ_ONLY);
for (int i=0; i<ntypes; i++)
@ -135,7 +135,7 @@ int EAMT::init(const int ntypes, double host_cutforcesq, int **host_type2rhor,
// pack frho_spline
UCL_H_Vec<numtyp4> dview_frho_spline(nfrho*(nrho+1),*(this->ucl_device),
UCL_WRITE_OPTIMIZED);
UCL_WRITE_ONLY);
for (int ix=0; ix<nfrho; ix++)
for (int iy=0; iy<nrho+1; iy++) {
@ -165,7 +165,7 @@ int EAMT::init(const int ntypes, double host_cutforcesq, int **host_type2rhor,
// pack rhor_spline
UCL_H_Vec<numtyp4> dview_rhor_spline(nrhor*(nr+1),*(this->ucl_device),
UCL_WRITE_OPTIMIZED);
UCL_WRITE_ONLY);
for (int ix=0; ix<nrhor; ix++)
for (int iy=0; iy<nr+1; iy++) {
@ -195,7 +195,7 @@ int EAMT::init(const int ntypes, double host_cutforcesq, int **host_type2rhor,
// pack z2r_spline
UCL_H_Vec<numtyp4> dview_z2r_spline(nz2r*(nr+1),*(this->ucl_device),
UCL_WRITE_OPTIMIZED);
UCL_WRITE_ONLY);
for (int ix=0; ix<nz2r; ix++)
for (int iy=0; iy<nr+1; iy++) {