Comments (6)
Hi Christoph,
this looks like a bug, I’ll look into this. It should work with non-orthogonal cells.
Best,
Lars
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Hi Christoph,
should be resolved in latest commit. Can you test and report back here?
Best,
Lars
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Thank you! The list now returns something. (I haven't actually checked whether it returns the correct neighbours) I can do that later if useful.
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I you could test, that would be great. I'll mark this as resolved for the time being.
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@pastewka I did a visual comparison with the ASE neighbour list and they match ok. So this seems indeed resolved. Thank you, again.
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Great, thanks!
-------- Ursprüngliche Nachricht --------
Von: Christoph Ortner [email protected]
Datum: 28.09.2015 15:44 (GMT+01:00)
An: libAtoms/matscipy [email protected]
Cc: "Pastewka, Lars (IAM)" [email protected]
Betreff: Re: [matscipy] Neighbourlist needs bulk=true? (#3)
@pastewkahttps://github.com/pastewka I did a visual comparison with the ASE neighbour list and they match ok. So this seems indeed resolved. Thank you, again.
Reply to this email directly or view it on GitHubhttps://github.com//issues/3#issuecomment-143747594.
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Related Issues (20)
- Documentation appearance HOT 3
- Generalise surface reconstruction code
- Conda-forge build not working for version 0.8.0 HOT 5
- Some fenics log messages are written to stdout instead of stderr HOT 1
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- Building documentation requires Fenics HOT 4
- Interactive visualisation of atomic structures in documentation is broken HOT 12
- Clean up extra files created by running docs + tests HOT 7
- Improve performance of unittests
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- Calling neighborlist in C++ HOT 3
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