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WIP: Lammpsdump velocities (and other fields)
Following #3360 (thanks for the great work!) I was implementing a first draft of a parser for the velocities. Before adding tests I quickly wanted to hear if the way of implementing agrees with your concepts. Other fields, like e.g. forces, could be added straightforward.
Fixes #
Changes made in this Pull Request:
- allow LAMMPSDUMP parser to read velocities
PR Checklist
- [ ] Tests?
- [ x] Docs?
- [ ] CHANGELOG updated?
- [ ] Issue raised/referenced?
Hello @schlaicha! Thanks for updating this PR. We checked the lines you've touched for PEP 8 issues, and found:
- In the file
package/MDAnalysis/coordinates/LAMMPS.py
:
Line 617:80: E501 line too long (83 > 79 characters) Line 620:80: E501 line too long (144 > 79 characters)
Comment last updated at 2022-04-02 00:30:10 UTC
I am going to close and re-open to trigger CI.
@schlaicha are you still interested in completing the PR?
@schlaicha are you still interested in completing the PR?
Sorry for the long delay, in fact I forgot about that one.
My collaborator @pstaerk started implementing this in a more general way, I believe, and thus I would suggest that we try to merge this with #3608
We will come back to this after having a first comment on #3608
@schlaicha the changes in this PR have been superseded by #3844.
Thanks @hejamu for reminding me about this open PR. Closing as it is outdated.