Code

Hbond update#3848

Code

Merged

IAlibay merged 22 commits intoMDAnalysis:developMDAnalysis/mdanalysis:developfrom jaclark5:hbond_updatejaclark5/mdanalysis:hbond_updateCopy head branch name to clipboardDec 7, 2022

+310-75

Commits

Commits on Sep 21, 2022

• Added warning explain hbond nan

  jaclark5

  committed
  c47513d

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• Allow atom types for hbond, inclusive to LAMMPS

  jaclark5

  committed
  0140005

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• Use bond info if available for guess_donor

  jaclark5

  committed
  340cd3f

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Commits on Sep 27, 2022

• Added hbond PR tests and CHANGELOG with bug fixes

  jaclark5

  committed
  d1a7182

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• Hydrogen Bonding: Update docs

  jaclark5

  committed
  f7f8bf5

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• Amended hbond test for full coverage, added _get_dh_pairs ability to find hydrogen atoms.

  jaclark5

  committed
  299b898

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Commits on Sep 29, 2022

• hbond_analysis complete codecov

  jaclark5

  committed
  bd95900

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• Adjusted hbond doc strings for max_*/min_* bounds

  jaclark5

  committed
  5d27895

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Commits on Oct 1, 2022

• Merge branch 'develop' into hbond_update

  

  Jennifer A Clark

  authored
  7903c4f

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Commits on Oct 18, 2022

• Incorporate reviewer comments

  jaclark5

  committed
  7af74d8

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Commits on Oct 26, 2022

• Merge branch 'develop' into hbond_update

  

  Jennifer A Clark

  authored
  9966f74

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Commits on Nov 4, 2022

• Review comment integration

  jaclark5

  committed
  77af51e

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• bug fix

  jaclark5

  committed
  4ae3b7b

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• Merge branch 'develop' into hbond_update

  jaclark5

  authored
  a61b56e

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• Updated tests

  jaclark5

  committed
  333ef6b

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• Remove unused line

  jaclark5

  committed
  049c0ee

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Commits on Nov 5, 2022

• Integrate reviewer comments

  jaclark5

  committed
  2788935

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• Add test for full coverage

  jaclark5

  committed
  a607605

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Commits on Nov 6, 2022

• Integrate reviewer comments

  jaclark5

  committed
  50dd832

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Commits on Nov 11, 2022

• Merge branch 'develop' into hbond_update

  orbeckst

  authored
  8cf40a1

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Commits on Nov 12, 2022

• Update test and docs

  jaclark5

  committed
  d5fbe48

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Commits on Nov 30, 2022

• Merge branch 'develop' into hbond_update

  IAlibay

  authored
  0a16b13

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