Release 0.8.0

[orbeckst]

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

See the online documentation for an overview over the package.

Important changes and fixes

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

All changes

See the CHANGES file for release 0.8.0.

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This discussion was created from the release Release 0.8.0.