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Published April 10, 2020 | Version 0.7.4
Software Open

mosdef-hub/foyer: Foyer 0.7.4

Authors/Creators

  • 1. Myriad Genetics
  • 2. Vanderbilt University
  • 3. @mosdef-hub
  • 4. University of Michigan
  • 5. NextMove Software

Description

Features
  • Add version attribute to ForceField class and XML schema (#298)
  • Expand OPLS-AA XML coverage: 
                                     - Amides (#278)
                - Isopropyl and tert-butyl ether (#311) 
                - Chlorobenzene and benzonitrile (#308)
                - Methyl-nitro aniline (#319) 
                - Secondary and Tertiary alcohols (#320)
                - Update to use smaller files for testing (#313)
  • Remove OpenMM from atom-typing step (#296)
Maintenance
  • Fix travis by not installing md5sha1sum (#302)
  • Refactor unit tests to use mbuild recipes instead of mbuild examples (#303)
  • Remove six from requirements (#325)
  • Drop Appveyor YML and update README (#329)
Miscellaneous
  • Add LICENSE.rst to MANIFEST.in (#324)
  • Build documentation on ReadTheDocs (#316)

Files

mosdef-hub/foyer-0.7.4.zip

Files (648.5 kB)

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md5:9a5ddba39cf7d27d9d20900611b5c0c9
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Additional details

Related works

Is supplement to
https://github.com/mosdef-hub/foyer/tree/0.7.4 (URL)