1690 Molecularize CIF #1792
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1690 Molecularize CIF #1792
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jws-1
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Co-authored-by: Jared Swift <[email protected]>
Co-authored-by: Jared Swift <[email protected]>
Co-authored-by: Jared Swift <[email protected]>
Co-authored-by: Jared Swift <[email protected]>
Co-authored-by: Jared Swift <[email protected]>
Co-authored-by: Jared Swift <[email protected]>
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Co-authored-by: Jared Swift <[email protected]>
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This PR focuses on our CIF import functionality, refactoring a few things here and there and generally making life a bit easier. A bug is fixed in the generation of the supercell whereby individual
Specieswere generated for every molecule instance, and the handling of various output options in the wizard was kinda broken.It ended up being a bit larger than intended!
Closes #1690.