/home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp/timestep.c: 85 - 94
--------------------------------------------------------------------------------

85:    #pragma omp parallel for
86:    for (int iBox=0; iBox<nBoxes; iBox++)
87:    {
88:       for (int iOff=MAXATOMS*iBox,ii=0; ii<s->boxes->nAtoms[iBox]; ii++,iOff++)
89:       {
90:          int iSpecies = s->atoms->iSpecies[iOff];
91:          real_t invMass = 1.0/s->species[iSpecies].mass;
92:          s->atoms->r[iOff][0] += dt*s->atoms->p[iOff][0]*invMass;
93:          s->atoms->r[iOff][1] += dt*s->atoms->p[iOff][1]*invMass;
94:          s->atoms->r[iOff][2] += dt*s->atoms->p[iOff][2]*invMass;
