Cell Matrices alignment when converting cell lengths and angles to cell matrices - Githubissues

robinzyb / cp2kdata

cp2k postprocessing tools

https://robinzyb.github.io/cp2kdata/

GNU Lesser General Public License v3.0

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Cell Matrices alignment when converting cell lengths and angles to cell matrices #34

Open robinzyb opened 8 months ago

robinzyb commented 8 months ago

https://github.com/deepmodeling/dpdata/issues/589#issue-2051589456