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v0.3.2

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@lmhale99 lmhale99 released this 31 Mar 22:18
  • bad_lammps_potentials list added which lists the LAMMPS potentials entries
    that should always issue errors if used. This is useful for anyone wishing
    to test both old and new versions of potentials by helping to process
    calculation errors.
  • More updates for KIM potentials - now any KIM models associated with multiple
    potential entries will generate separate PotentialLAMMPS records for each.
    This simplifies the handling of these edge cases and helps avoid compositions
    associated with untrained cross-interactions.
  • Citation records now treat "journal" as optional when loading. CrossRef
    bibtex seems to now be missing this value?