mdanalysis
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Lammps Dump Parser
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?
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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Hmm I thought this was supposed to merge upon approval, do I need to do anything else?
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)