Removed trailing spaces
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@ -145,7 +145,7 @@ void HippoT::clear() {
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coeff_amclass.clear();
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sp_polar.clear();
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sp_nonpolar.clear();
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this->clear_atomic();
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}
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@ -199,7 +199,7 @@ int** HippoT::precompute(const int ago, const int inum_full, const int nall,
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this->dev_special15_t.clear();
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this->dev_nspecial15.alloc(nall,*(this->ucl_device),UCL_READ_ONLY);
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this->dev_special15.alloc(this->_maxspecial15*nall,*(this->ucl_device),UCL_READ_ONLY);
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this->dev_special15_t.alloc(nall*this->_maxspecial15,*(this->ucl_device),UCL_READ_ONLY);
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this->dev_special15_t.alloc(nall*this->_maxspecial15,*(this->ucl_device),UCL_READ_ONLY);
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}
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if (inum_full==0) {
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@ -286,7 +286,7 @@ int** HippoT::compute_dispersion_real(const int ago, const int inum_full,
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// reallocate per-atom arrays, transfer data from the host
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// and build the neighbor lists if needed
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// NOTE:
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// NOTE:
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// For now we invoke precompute() again here,
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// to be able to turn on/off the udirect2b kernel (which comes before this)
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// Once all the kernels are ready, precompute() is needed only once
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@ -339,7 +339,7 @@ int HippoT::dispersion_real(const int eflag, const int vflag) {
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// Build the short neighbor list for the cutoff off2_disp,
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// at this point mpole is the first kernel in a time step
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this->k_short_nbor.set_size(GX,BX);
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this->k_short_nbor.run(&this->atom->x, &this->nbor->dev_nbor,
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&this->_nbor_data->begin(),
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@ -397,7 +397,7 @@ int** HippoT::compute_multipole_real(const int ago, const int inum_full,
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// reallocate per-atom arrays, transfer data from the host
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// and build the neighbor lists if needed
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// NOTE:
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// NOTE:
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// For now we invoke precompute() again here,
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// to be able to turn on/off the udirect2b kernel (which comes before this)
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// Once all the kernels are ready, precompute() is needed only once
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@ -468,7 +468,7 @@ int HippoT::multipole_real(const int eflag, const int vflag) {
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// Build the short neighbor list for the cutoff off2_mpole,
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// at this point mpole is the first kernel in a time step
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this->k_short_nbor.set_size(GX,BX);
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this->k_short_nbor.run(&this->atom->x, &this->nbor->dev_nbor,
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&this->_nbor_data->begin(),
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@ -537,7 +537,7 @@ int** HippoT::compute_udirect2b(const int ago, const int inum_full,
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eflag_in, vflag_in, eatom, vatom,
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host_start, ilist, jnum, cpu_time,
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success, host_q, boxlo, prd);
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// ------------------- Resize _fieldp array ------------------------
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if (inum_full>this->_max_fieldp_size) {
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@ -569,7 +569,7 @@ int** HippoT::compute_udirect2b(const int ago, const int inum_full,
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// ---------------------------------------------------------------------------
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template <class numtyp, class acctyp>
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int HippoT::udirect2b(const int eflag, const int vflag) {
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int ainum=this->ans->inum();
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int ainum=this->ans->inum();
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if (ainum == 0)
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return 0;
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@ -591,7 +591,7 @@ int HippoT::udirect2b(const int eflag, const int vflag) {
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&nbor_pitch, &this->_threads_per_atom);
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this->short_nbor_polar_avail = true;
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}
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this->k_udirect2b.set_size(GX,BX);
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this->k_udirect2b.run(&this->atom->x, &this->atom->extra,
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&coeff_amtype, &coeff_amclass, &sp_polar,
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@ -756,7 +756,7 @@ int** HippoT::compute_polar_real(const int ago, const int inum_full,
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// reallocate per-atom arrays, transfer data from the host
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// and build the neighbor lists if needed
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// NOTE:
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// NOTE:
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// For now we invoke precompute() again here,
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// to be able to turn on/off the udirect2b kernel (which comes before this)
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// Once all the kernels are ready, precompute() is needed only once
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@ -803,7 +803,7 @@ int** HippoT::compute_polar_real(const int ago, const int inum_full,
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numtyp4* p = (numtyp4*)(&this->_tep[4*i]);
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printf("i = %d; tep = %f %f %f\n", i, p->x, p->y, p->z);
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}
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*/
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*/
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return firstneigh; // nbor->host_jlist.begin()-host_start;
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}
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