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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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19
lib/gpu/lal_born.cpp
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@ -97,6 +97,25 @@ int BornT::init(const int ntypes, double **host_cutsq,
return 0;
}
template <class numtyp, class acctyp>
void BornT::reinit(const int ntypes, double **host_rhoinv,
double **host_born1, double **host_born2,
double **host_born3, double **host_a, double **host_c,
double **host_d, 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,coeff1,host_write,host_rhoinv,
host_born1,host_born2,host_born3);
this->atom->type_pack4(ntypes,_lj_types,coeff2,host_write,host_a,host_c,
host_d,host_offset);
}
template <class numtyp, class acctyp>
void BornT::clear() {
if (!_allocated)