Code

-el fix#559

Code

Merged

fgrunewald merged 8 commits intomarrink-lab:mastermarrink-lab/vermouth-martinize:masterfrom csbrasnett:el-fixcsbrasnett/vermouth-martinize:el-fixCopy head branch name to clipboardNov 13, 2023

+56

Commits

Commits on Oct 31, 2023

• ensured el flag is used

  csbrasnett

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  d0feb7f

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• fixed el threshold application

  csbrasnett

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  8ef0e42

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• removed brackets

  csbrasnett

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  edbfb6f

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• didn't account for constant forces

  csbrasnett

  committed
  bcf4699

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Commits on Nov 1, 2023

• added tests for rubber band application

  csbrasnett

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  99c0452

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• added decay tests

  csbrasnett

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  9104cec

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Commits on Nov 3, 2023

• corrected behaviour

  csbrasnett

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  1617e84

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Commits on Nov 6, 2023

• expanded docstring of compute_force_constants

  csbrasnett

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  a14cd23

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