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qzhu2017 / PyXtal

A code to generate atomic structure with symmetry
MIT License
234 stars 59 forks source link

Debug the optimize lattice function for monoclinic case like C2/c #184

Closed qzhu2017 closed 2 years ago

qzhu2017 commented 2 years ago

When the lattice basis changes, the translation part of wp will also change. from_symops

qzhu2017 commented 2 years ago

Needs to add an option to return an standard setting

qzhu2017 commented 2 years ago

change it to the way as we did for atomic crystal