/home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp/initAtoms.c: 24 - 50
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24: {
25:    Atoms* atoms = comdMalloc(sizeof(Atoms));
26: 
27:    int maxTotalAtoms = MAXATOMS*boxes->nTotalBoxes;
28: 
29:    atoms->gid =      (int*)   comdMalloc(maxTotalAtoms*sizeof(int));
30:    atoms->iSpecies = (int*)   comdMalloc(maxTotalAtoms*sizeof(int));
31:    atoms->r =        (real3*) comdMalloc(maxTotalAtoms*sizeof(real3));
32:    atoms->p =        (real3*) comdMalloc(maxTotalAtoms*sizeof(real3));
33:    atoms->f =        (real3*) comdMalloc(maxTotalAtoms*sizeof(real3));
34:    atoms->U =        (real_t*)comdMalloc(maxTotalAtoms*sizeof(real_t));
35: 
36:    atoms->nLocal = 0;
37:    atoms->nGlobal = 0;
38: 
39:    for (int iOff = 0; iOff < maxTotalAtoms; iOff++)
40:    {
41:       atoms->gid[iOff] = 0;
42:       atoms->iSpecies[iOff] = 0;
43:       zeroReal3(atoms->r[iOff]);
44:       zeroReal3(atoms->p[iOff]);
45:       zeroReal3(atoms->f[iOff]);
46:       atoms->U[iOff] = 0.;
47:    }
48: 
49:    return atoms;
50: }
/home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp/memUtils.h: 13 - 13
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13:    return malloc(iSize);
/home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp/mytype.h: 22 - 22
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22:    a[0] = 0.0;
