Handle mass better
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@ -145,6 +145,7 @@ void DumpExtXYZ::pack(tagint *ids)
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double **v = atom->v;
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double **f = atom->f;
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double *mass = atom->mass;
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double *rmass = atom->rmass;
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int nlocal = atom->nlocal;
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m = n = 0;
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@ -166,8 +167,12 @@ void DumpExtXYZ::pack(tagint *ids)
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buf[m++] = f[i][2];
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}
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if (with_mass) {
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if (rmass) {
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buf[m++] = rmass[i];
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} else {
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buf[m++] = mass[type[i]];
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}
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}
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if (ids) ids[n++] = tag[i];
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}
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