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RMG-database v2.0.0

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@KEHANG KEHANG released this 17 Sep 20:40
· 1444 commits to master since this release

In conjunction with the release of RMG-Py v2.0.0, an updated package for the RMG-database has also been released.
This release brings some new additions and fixes:

  • Polycyclic thermochemistry estimation improved:
    • polycyclic database reorganized and more entries added in systematic way (input.thermo.groups.polycyclic)
  • Database entry accessibility tests:
    • Fixes existing inaccessible entries in solvation/statmech/thermo of RMG-database