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

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sjplimp
2014-06-27 17:25:22 +00:00
parent f745f24bcd
commit 67ae64329e
24 changed files with 422 additions and 55 deletions
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15
lib/gpu/lal_gauss.cpp
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@ -87,6 +87,21 @@ int GaussT::init(const int ntypes,
return 0;
}
template <class numtyp, class acctyp>
void GaussT::reinit(const int ntypes, double **host_cutsq, double **host_a,
double **host_b, 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,gauss1,host_write,host_a,host_b,
host_cutsq,host_offset);
}
template <class numtyp, class acctyp>
void GaussT::clear() {
if (!_allocated)