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Lammps Dump Parser

Open jaclark5 opened this issue 3 years ago • 1 comments
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Fixes ##3843 #3741

Changes made in this Pull Request:

  • Allow box translation upon importing LAMMPS dump file
  • Allows coordinates to be unwrapped with dump file image flags
  • Allows import of velocities and forces from lammps dump file

PR Checklist

  • [x] Tests?
  • [x] Docs?
  • [x] CHANGELOG updated?
  • [X] Issue raised/referenced?

jaclark5 avatar Sep 21 '22 16:09 jaclark5

Codecov Report

Base: 94.35% // Head: 94.35% // Increases project coverage by +0.00% :tada:

Coverage data is based on head (db76d0f) compared to base (998a020). Patch coverage: 100.00% of modified lines in pull request are covered.

Additional details and impacted files
@@           Coverage Diff            @@
##           develop    #3844   +/-   ##
========================================
  Coverage    94.35%   94.35%           
========================================
  Files          194      194           
  Lines        25031    25062   +31     
  Branches      3374     3390   +16     
========================================
+ Hits         23617    23648   +31     
  Misses        1365     1365           
  Partials        49       49           
Impacted Files Coverage Δ
package/MDAnalysis/coordinates/LAMMPS.py 95.92% <100.00%> (+0.43%) :arrow_up:

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codecov[bot] avatar Sep 28 '22 01:09 codecov[bot]

Hmm I thought this was supposed to merge upon approval, do I need to do anything else?

jaclark5 avatar Oct 26 '22 13:10 jaclark5

Hmm I thought this was supposed to merge upon approval, do I need to do anything else?

I was just waiting on CI, I'll merge now (we don't have merge on approval set up, it's something the coredevs need to discuss at some point I guess)

IAlibay avatar Oct 26 '22 13:10 IAlibay