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v0.0.2.0

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@andthum andthum released this 09 Feb 13:51
· 529 commits to main since this release
v0.0.2.0
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andthum Andreas Thum
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Learn about vigilant mode.
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Learn about vigilant mode.

What's Changed

Breaking changes

  • Rename the function mdtools.statistics.running_average to mdtools.statistics.cumav to highlight that this function does not calculate a simple running average but a cumulative average. by @andthum in #141
  • plot_energy_dist.py: Change the second plot to be a cutout of the first plot and change default values of --num-points and --observables by @andthum in #142

New feature

  • Create a new function mdtools.statistics.movav that calculates the moving average. by @andthum in #141
  • plot_energy_dist.py: Additionally plot cumulative and moving average by @andthum in #142

Project maintenance

Full Changelog: v0.0.1.0...v0.0.2.0

Contributors

andthum
Assets 2
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