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Add the option to allow the use of different atomic weight for SO3 #62

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qzhu2017 opened this issue Jun 26, 2023 · 0 comments

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qzhu2017 commented Jun 26, 2023

Similar to SNAP

https://github.com/MaterSim/PyXtal_FF/blob/master/pyxtal_ff/descriptors/SNAP.py

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