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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15248 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2016-07-01 23:27:26 +00:00
parent 8366b35459
commit 9656958169
245 changed files with 4890 additions and 4832 deletions
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16
lib/gpu/lal_mie.cpp
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@ -9,7 +9,7 @@
This file is part of the LAMMPS Accelerator Library (LAMMPS_AL)
__________________________________________________________________________
begin :
begin :
email : nguyentd@ornl.gov
***************************************************************************/
@ -33,17 +33,17 @@ MieT::Mie() : BaseAtomic<numtyp,acctyp>(), _allocated(false) {
}
template <class numtyp, class acctyp>
MieT::~Mie() {
MieT::~Mie() {
clear();
}
template <class numtyp, class acctyp>
int MieT::bytes_per_atom(const int max_nbors) const {
return this->bytes_per_atom_atomic(max_nbors);
}
template <class numtyp, class acctyp>
int MieT::init(const int ntypes, double **host_cutsq,
int MieT::init(const int ntypes, double **host_cutsq,
double **host_mie1, double **host_mie2,
double **host_mie3, double **host_mie4,
double **host_gamA, double **host_gamR,
@ -76,12 +76,12 @@ int MieT::init(const int ntypes, double **host_cutsq,
mie1.alloc(lj_types*lj_types,*(this->ucl_device),UCL_READ_ONLY);
this->atom->type_pack4(ntypes,lj_types,mie1,host_write,host_mie1,host_mie2,
host_gamA,host_gamR);
host_gamA,host_gamR);
mie3.alloc(lj_types*lj_types,*(this->ucl_device),UCL_READ_ONLY);
this->atom->type_pack4(ntypes,lj_types,mie3,host_write,host_mie3,host_mie4,
host_offset,host_cutsq);
host_offset,host_cutsq);
UCL_H_Vec<double> dview;
sp_lj.alloc(4,*(this->ucl_device),UCL_READ_ONLY);
dview.view(host_special_lj,4,*(this->ucl_device));
@ -126,7 +126,7 @@ void MieT::loop(const bool _eflag, const bool _vflag) {
vflag=1;
else
vflag=0;
int GX=static_cast<int>(ceil(static_cast<double>(this->ans->inum())/
(BX/this->_threads_per_atom)));