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Analysis fixes #413

Merged
merged 5 commits into from
Mar 19, 2024
Merged

Analysis fixes #413

merged 5 commits into from
Mar 19, 2024

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KRiedmiller
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Three small fixes to the analysis module.

  • energy now parses the xvg legend to determine the correct label order. It is not the cmd order.
  • allow reactions with no chosen recipe in reaction_participation. Extrande and rKMC do not choose necessarily.
  • fix function docstring
  • get rid of pd warning of setting value on copy

@KRiedmiller KRiedmiller merged commit b5b8fc2 into main Mar 19, 2024
@KRiedmiller KRiedmiller deleted the analysis_fixes branch March 19, 2024 10:19
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@ehhartmann ehhartmann ehhartmann approved these changes

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@KRiedmiller @ehhartmann