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RMG-database v2.1.3
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@mliu49 mliu49 released this 02 May 15:40
· 1759 commits to main since this release
2.1.3
380316b

  • Long-distance interaction thermo corrections:

    • The gauche and int15 group files have been replaced by longDistanceInteraction_noncyclic
    • New corrections for cyclic ortho/meta/para interactions are now available in longDistanceInteraction_cyclic

  • Changes:

    • Oa_R_Recombination family renamed to Birad_R_Recombination
    • More training reactions added for sulfur species in H_Abstraction
    • RMG-database tests have been moved to RMG-Py
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