v0.0.3.0
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 #149plot_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
- Update configuration of development tools by @andthum in #144
- Update GitHub Actions by @andthum in #146
Full Changelog: v0.0.2.0...v0.0.3.0