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lamalab-org / xtal2txt

MIT License
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Issue5: addressing the problems from the last issues #12

Closed r3zu closed 7 months ago

r3zu commented 7 months ago

Implementing the corrections you made. Adding unit tests.

r3zu commented 7 months ago

Also for the method get_cif_string, to apply rounding the float numbers, I use regex for the multi-line string.

kjappelbaum commented 7 months ago

Nice work!

some comments here https://www.loom.com/share/0380d6e31db947589cdeaec145e743eb?sid=cf927389-27e7-4e73-ad99-277d8f6c08b5