Code

Lammps Dump Parser#3844

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Merged

IAlibay merged 19 commits intoMDAnalysis:developMDAnalysis/mdanalysis:developfrom jaclark5:lammpsjaclark5/mdanalysis:lammpsCopy head branch name to clipboardOct 26, 2022

+289-69

Commits

Commits on Sep 21, 2022

• Add check in LAMMPS Dump Reader for velocities and forces

  jaclark5

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• Translate LAMMPS coordinates to range from zero to box length

  jaclark5

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• Add unwrap feature to LAMMPSDump

  jaclark5

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Commits on Sep 22, 2022

• PR Response lammps dump reader

  jaclark5

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• PR Response lammps dump reader

  jaclark5

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• Merge branch 'lammps' of github.com:jaclark5/mdanalysis into lammps

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Commits on Sep 27, 2022

• Update package/MDAnalysis/coordinates/LAMMPS.py

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  Jennifer A Clark

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  hmacdope

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• Update Changelog and fix PR syntax for lammps dump

  jaclark5

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  0b8f76b

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Commits on Sep 28, 2022

• Updated LAMMPSDUMP tests with box transformation

  jaclark5

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• Updates LAMMPSDUMP test for new features

  jaclark5

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• Added LAMMPS test files reference in datafile.py

  jaclark5

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Commits on Sep 29, 2022

• Moved LAMMPSDUMP vel and force check with ATOM card parsing

  jaclark5

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  dae8480

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Commits on Oct 1, 2022

• PR formatting fixes

  jaclark5

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Commits on Oct 3, 2022

• Merge branch 'develop' into lammps

  

  Jennifer A Clark

  authored
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Commits on Oct 18, 2022

• Incorporate reviewer comments

  jaclark5

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• Merge branch 'develop' into lammps

  

  Jennifer A Clark

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Commits on Oct 21, 2022

• Make current with develop

  jaclark5

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  cbaa894

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Commits on Oct 26, 2022

• Modernized LAMMPS parser testing, documentation, and adherence to pep8

  jaclark5

  committed
  90e3e38

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• Merge branch 'develop' into lammps

  

  Jennifer A Clark

  authored
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