chore(main): release 0.2.0 - Githubissues

XJTU-ICP / FullereneDataParser

MIT License

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chore(main): release 0.2.0 #15

Open github-actions[bot] opened 2 years ago

github-actions[bot] commented 2 years ago

:robot: I have created a release beep boop

0.2.0 (2022-09-29)

Features

drawcage: api for optional axes of matplotlib. (8d78ed3)
xcsi: add poav orbital calculation. (010778c)
xcsi: calculation examples of csi with orbitals. (eac3a3e)
xcsiwork: draw results of xcsi models with angle/distance/adjmask. And schnet, spookynet. (76adf97)

Bug Fixes

adj2spiral: fix bug for system size and file extension. (4f1bab1)
adj2spiral: fix not read any comment from xyz file. (b30e77d)
atomadj: fix wrong found result by natural cutoffs with first 3 shortest distances. (46138a7)
drawcage: draw cage with a parallel edge. (33b3dea)
originalcsi: fix napp calculation in origin csi. (1138917)

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