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Fix Bug in mdtools/misc/dtrj_lifetimes/compare_dtrj_lifetime_methods.py #225

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merged 5 commits into from
Apr 16, 2024

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@andthum andthum commented Apr 16, 2024

Fix Bug in mdtools/misc/dtrj_lifetimes/compare_dtrj_lifetime_methods.py

Type of change

  • Change of core package.
  • Change of scripts.
  • Bug fix.
  • New feature.
  • Code refactoring.
  • Dependency update.
  • Documentation update.
  • Maintenance.
  • Other: Description.
  • Non-breaking (backward-compatible) change.
  • Breaking (non-backward-compatible) change.

Proposed changes

Bug fixes:

  • mdtools/misc/dtrj_lifetimes/compare_dtrj_lifetime_methods.py: Fix fits of the Kaplan-Meier estimated survival function. The Weibull and Burr fits did not fit the Kaplan-Meier survival function but the autocorrelation function (remain probability).

New features:

  • mdtools/misc/dtrj_lifetimes/compare_dtrj_lifetime_methods.py, mdtools/misc/dtrj_lifetimes/plt_lifetimes.py: Additionally calculate and plot the coefficient of variation of the underlying lifetime distribution.

PR checklist

  • I followed the guidelines in the Developer's guide.
  • New/changed code is properly tested.
  • New/changed code is properly documented.
  • The CI workflow is passing.

…n (WIP)

Additionally calculate the coefficient of variation of the underlying
lifetime distribution.
The Weibull and Burr fits did not fit the Kaplan-Meier survival function
but the autocorrelation function (remain probability).
@github-actions github-actions bot added bugfix Pull requests that fix a bug enhancement New feature or request minor Change that results in a new minor version patch Change that results in a new patch version labels Apr 16, 2024
@andthum andthum merged commit 02cbea7 into main Apr 16, 2024
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@andthum andthum deleted the feat/misc/dtrj-lifetimes/compare-dtrj-lifetime-methods branch April 16, 2024 15:42
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