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Fix PR #190#191

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andthum merged 1 commit intomainfrom
ref/src/dtrj/back-jump-probability
Nov 9, 2023
Merged

Fix PR #190#191
andthum merged 1 commit intomainfrom
ref/src/dtrj/back-jump-probability

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@andthum andthum commented Nov 9, 2023

Fix PR #190

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

Use numpy.nansum instead of numpy.sum to check whether the sum of the back-jump probabilities calculated by the functions mdtools.dtrj.back_jump_prob and mdtools.dtrj.back_jump_prob is not greater than one.

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.

Use `numpy.nansum` instead of `numpy.sum` to check whether the sum of
the back-jump probabilities calculated by the functions
`mdtools.dtrj.back_jump_prob` and `mdtools.dtrj.back_jump_prob` is not
greater than one.
@github-actions github-actions bot added the refactoring Code refactoring label Nov 9, 2023
@andthum andthum merged commit 1713253 into main Nov 9, 2023
@andthum andthum deleted the ref/src/dtrj/back-jump-probability branch November 9, 2023 15:53
@andthum andthum mentioned this pull request Nov 12, 2023
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andthum added a commit that referenced this pull request Nov 12, 2023
@andthum andthum mentioned this pull request Nov 14, 2023
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andthum added a commit that referenced this pull request Nov 14, 2023
@andthum andthum mentioned this pull request Nov 15, 2023
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andthum added a commit that referenced this pull request Nov 15, 2023
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