This repository has been archived by the owner on Sep 1, 2021. It is now read-only.
Initial point group symmetry detection and symmetrization. #14
Conversation
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Uses libmsym (included via Git submodule) internally. Change-Id: Ib20b7611c5b12b6b1d2a743456e5041e3d93706b
Change-Id: I20304abae375f9ec109108d3f966311991a99ea9
Also remove "very loose" tolerance which doesn't seem to work, and update PG text after tolerance change. Change-Id: I084eb0ac92767386289f68626ce92463adfd2f40
|
@cryos I did this via git submodule, but I realize that spglib and others in Avogadro v1.x are imports. Should I import libmsym or convert the others? |
|
I think we should just import them here, but I leave it up to you as I am focused on 2. I think there is value in keeping this repository simple. |
Change-Id: Ib48c645fb1b8cfc1c55cf95b8caf1a684f453c24
Change-Id: I05d864d38fdd3f65e64fdb0fc1ca1fedc8303aac
ghutchis
added a commit
that referenced
this pull request
Aug 17, 2015
Initial point group symmetry detection and symmetrization.
This was referenced Apr 27, 2016
Closed
Closed
This was referenced Apr 27, 2016
Closed
Sign up for free
to subscribe to this conversation on GitHub.
Already have an account?
Sign in.
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
Uses libmsym (included via Git submodule) internally.
Change-Id: Ib20b7611c5b12b6b1d2a743456e5041e3d93706b