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v0.3.0

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@lmhale99 lmhale99 released this 31 Mar 22:17
  • Major overhaul of the package. Most of the code was reworked to add
    functionality and streamline database interactions between the potentials, atomman
    and iprPy packages.
  • Basic database and record handling now in a separate sub-package, which is planned
    on being fully branched off later.
  • A csv-based caching system is added for local style databases to speed up queries.
  • Records now specify recognized query parameters allowing for custom "fast" queries
    to be generated for the different database styles.
  • Loading of record styles no longer necessary.
  • Performance improvements related to how the query actions are performed.
  • The handling of openKIM models has been improved.
  • Tools relating to building and analyzing EAM parameter files have been added in.
  • Specific database operations now exist for all supported record styles.