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Release 0.8.0

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@orbeckst orbeckst released this 03 Jan 23:36
· 117 commits to develop since this release

New release of MDPOW with new functionality; dropped support for legacy Python versions.

Important changes and fixes

  • support Python 3.7 – 3.9 (3.10 probably works but is currently not tested)
  • new ensemble analysis framework (#168) with two ensemble tools
    • dihedral analysis #190
    • solvation shell analysis #195
  • removed deprecated mdpow-ghyd script: use mdpow-solvationenergy (#183)
  • various fixes in the config file parser

All changes

See the CHANGES file for release 0.8.0.