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v0.0.3.0

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@andthum andthum released this 15 Feb 08:38
· 482 commits to main since this release
v0.0.3.0
1b8f4bf

What's Changed

Breaking changes

  • plot_energy_dist.py: Remove --num-points option entirely and replace it by the options --cutout-start and --cutout-end which allows the users to specify a start and end point for the cutout plot instead of just plotting the last --num-points data points by @andthum in #149
  • plot_energy_dist.py: Additionally to the centered moving average and the cumulative average, also plot the total average by @andthum in #149
  • MDTools plot style (mdtools.mplstyle): Set the handlelength in legends to 1.8. Before it was the default value of 2.0. This leads to a nicer representation of dashed lines in legends. By @andthum in #149
  • plot.py: Decrease the handlelength for small legends to from 1.6 to 1.35. This leads to a nicer representation of dashed lines in small legends and additionally shrinks the legend further. By @andthum in #149

Documentation updates

  • plot_energy_dist.py: Extend "Notes" Section by giving some formulas for fluctuations in the NVT and NpT ensembles by @andthum in #148
  • Fix various typos on various doc pages by @andthum in #147
  • Update the Developer's Guide about the markdownlint pre-commit hook and about publishing a new release by @andthum in #147

Project maintenance

Full Changelog: v0.0.2.0...v0.0.3.0