/home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp/initAtoms.c: 221 - 228
--------------------------------------------------------------------------------

221:       for (int iOff=MAXATOMS*iBox, ii=0; ii<s->boxes->nAtoms[iBox]; ++ii, ++iOff)
222:       {
223:          v0 += s->atoms->p[iOff][0];
224:          v1 += s->atoms->p[iOff][1];
225:          v2 += s->atoms->p[iOff][2];
226: 
227:          int iSpecies = s->atoms->iSpecies[iOff];
228:          v3 += s->species[iSpecies].mass;
