qzhu2017 / PyXtal

A code to generate atomic structure with symmetry
MIT License
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Redundant operations #186

Closed qzhu2017 closed 2 years ago

qzhu2017 commented 2 years ago

Currently, we simply enumerate all possible solutions for a given lattice transformation. Needs to skip it if the structures are same. E.g., lattice same and the first coordinate is the same. This will save a lot of time. Need to check