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Moved fphi_uind up to BaseAmoeba

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Trung Nguyen
2022-09-02 10:18:59 -05:00
parent aac264f2e2
commit cad7e1b364
5 changed files with 36 additions and 41 deletions
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32
lib/gpu/lal_amoeba.cpp
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@ -259,38 +259,6 @@ int AmoebaT::umutual2b(const int eflag, const int vflag) {
return GX;
}
// ---------------------------------------------------------------------------
// Interpolate the potential from the PME grid
// ---------------------------------------------------------------------------
template <class numtyp, class acctyp>
int AmoebaT::fphi_uind() {
int ainum=this->ans->inum();
if (ainum == 0)
return 0;
int _nall=this->atom->nall();
int nbor_pitch=this->nbor->nbor_pitch();
// Compute the block size and grid size to keep all cores busy
const int BX=this->block_size();
int GX=static_cast<int>(ceil(static_cast<double>(this->ans->inum())/
(BX/this->_threads_per_atom)));
this->time_pair.start();
int ngridyz = this->_ngridy * this->_ngridz;
this->k_fphi_uind.set_size(GX,BX);
this->k_fphi_uind.run(&this->atom->x, &this->_thetai1,
&this->_thetai2, &this->_thetai3,
&this->_igrid, &this->_cgrid_brick,
&this->_fdip_phi1, &this->_fdip_phi2,
&this->_fdip_sum_phi, &this->_bsorder,
&ainum, &ngridyz, &this->_ngridy,
&this->_threads_per_atom);
this->time_pair.stop();
return GX;
}
// ---------------------------------------------------------------------------
// Calculate the polar real-space term, returning tep
// ---------------------------------------------------------------------------