ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12146 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2014-06-27 17:25:22 +00:00
parent f745f24bcd
commit 67ae64329e
24 changed files with 422 additions and 55 deletions
Download Patch File Download Diff File Expand all files Collapse all files

17
lib/gpu/lal_lj.cpp
View File

@ -92,6 +92,23 @@ int LJT::init(const int ntypes,
return 0;
}
template <class numtyp, class acctyp>
void LJT::reinit(const int ntypes, double **host_cutsq, double **host_lj1,
double **host_lj2, double **host_lj3,
double **host_lj4, double **host_offset) {
// Allocate a host write buffer for data initialization
UCL_H_Vec<numtyp> host_write(_lj_types*_lj_types*32,*(this->ucl_device),
UCL_WRITE_ONLY);
for (int i=0; i<_lj_types*_lj_types; i++)
host_write[i]=0.0;
this->atom->type_pack4(ntypes,_lj_types,lj1,host_write,host_lj1,host_lj2,
host_cutsq);
this->atom->type_pack4(ntypes,_lj_types,lj3,host_write,host_lj3,host_lj4,
host_offset);
}
template <class numtyp, class acctyp>
void LJT::clear() {
if (!_allocated)