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WIP: Lammpsdump velocities (and other fields)

Open schlaicha opened this issue 3 years ago • 4 comments

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?

schlaicha avatar Oct 29 '21 10:10 schlaicha

Hello @schlaicha! Thanks for updating this PR. We checked the lines you've touched for PEP 8 issues, and found:

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

pep8speaks avatar Oct 29 '21 10:10 pep8speaks

I am going to close and re-open to trigger CI.

orbeckst avatar Apr 02 '22 00:04 orbeckst

@schlaicha are you still interested in completing the PR?

orbeckst avatar Apr 02 '22 00:04 orbeckst

@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 avatar Apr 07 '22 07:04 schlaicha

@schlaicha the changes in this PR have been superseded by #3844.

hejamu avatar Sep 30 '23 18:09 hejamu

Thanks @hejamu for reminding me about this open PR. Closing as it is outdated.

schlaicha avatar Oct 01 '23 09:10 schlaicha