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[lammps] Fix handling types when restoring #344

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Dec 12, 2024
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@pabloferz pabloferz commented Dec 3, 2024

For LAMMPS, only unique masses are stored, instead the mass "type" of each particle is stored, and the mass of the ith particle can be retrieved as masses[types][i]. For this reason we store (masses, types) in place of a masses, this requires special handling when restoring which we missed initially. Fixing it here.

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trunk-io bot commented Dec 3, 2024

😎 Merged successfully - details.

@trunk-io trunk-io bot merged commit 6f67266 into main Dec 12, 2024
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