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Update base.py #346

Merged
merged 2 commits into from
Sep 24, 2021
Merged

Update base.py #346

merged 2 commits into from
Sep 24, 2021

Commits on Sep 6, 2021

  1. Update base.py 

    Lammps may not keep the original order of the atom IDs (see e.g. https://matsci.org/t/atom-id-is-changing/31701). I experienced this when running reverse scaling where multple runs are appended. The following patch orders the atom IDs and thus guarantees that the order remains unchanged.
    @JNmpi
    JNmpi committed Sep 6, 2021
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Commits on Sep 24, 2021

  1. Update pyiron_atomistics/lammps/base.py 

    Co-authored-by: Marvin Poul <poul@mpie.de>
    @jan-janssen @pmrv
    jan-janssen and pmrv committed Sep 24, 2021
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