lamalab-org / xtal2txt

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pymatgen to tuple(Cartesian coordinate) #1

Closed r3zu closed 7 months ago

r3zu commented 8 months ago

Sorry for the delay, I had to make the code clean. The main.py file is the function along with three .cif files for the unit test. Best, Reza

kjappelbaum commented 8 months ago

thanks, no problems with the delay ;)

n0w0f commented 7 months ago

part of #8