/home/eoseret/qaas/qaas_runs/178-539-6385/intel/CoMD/build/CoMD/CoMD/src-openmp/haloExchange.c: 624 - 628
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624:       tmp[iTmp].type = atoms->iSpecies[ii];
625:       tmp[iTmp].rx =   atoms->r[ii][0];
626:       tmp[iTmp].ry =   atoms->r[ii][1];
627:       tmp[iTmp].rz =   atoms->r[ii][2];
628:       tmp[iTmp].px =   atoms->p[ii][0];
