Core: use spglib or sophus for symmetry group detection?

spirit-code / spirit

Atomistic Spin Simulation Framework

http://spirit-code.github.io

MIT License

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Core: use spglib or sophus for symmetry group detection? #476

Open GPMueller opened 5 years ago

GPMueller commented 5 years ago

See https://github.com/atztogo/spglib This would enable a better detection of the geometry type when the basis cell is input manually.

Possibly, this would also make it easy to construct lattices from symmetry operations, which would be a neat little feature to simplify the input file for some cases or to make it easier to transfer from DFT codes.

GPMueller commented 3 years ago

In this context, https://github.com/strasdat/Sophus might also be interesting.

GPMueller commented 2 years ago

Note also issue #456