Physical Validation Versions Save

What's Changed

Support for pymbar >= 4, while retaining support for older pymbar versions to avoid conflicts with other packages.

Full Changelog: https://github.com/shirtsgroup/physical_validation/compare/v1.0.4...v1.0.5

What's Changed

Fixed DOI metadata.

Full Changelog: https://github.com/shirtsgroup/physical_validation/compare/v1.0.3...v1.0.4

What's Changed

• Miscellaneous documentation improvements
• Improved the plotting of the integrator convergence test by adding a symbol at the data points
• Merged the JOSS paper reviewed here

Acknowledgment

Many thanks to @tonigi, @zadehsey and @geraldjwang for their thoughtful reviews of the package and the paper during the JOSS review, and @rkurchin for leading the review process and editing the paper. We are grateful for your help in improving this package and the associated JOSS paper.

Full Changelog: https://github.com/shirtsgroup/physical_validation/compare/v1.0.2...v1.0.3

What's Changed

• Added an example of using MDAnalysis for trajectory in the documentation.

Full Changelog: https://github.com/shirtsgroup/physical_validation/compare/v1.0.1...v1.0.2

What's Changed

• Package is now available on conda-forge.
• Installation instructions were changed accordingly.

Full Changelog: https://github.com/shirtsgroup/physical_validation/compare/v1.0.0...v1.0.1

Initial stable release