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MaterSim / PyXtal

A code to generate atomic structure with symmetry
MIT License
269 stars 68 forks source link

Missing `rdkit` package in `requirements.txt` #255

Closed samtsevich closed 6 months ago

samtsevich commented 6 months ago

Hi Qiang,

There is missing rdkit library in the requirements.txt file – that should be there.

qzhu2017 commented 6 months ago

@samtsevich rdkit is needed only when people want to use smiles string for generating molecular crystals

https://pyxtal.readthedocs.io/en/latest/Usage.html#pyxtal-molecule-pyxtal-molecule