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Files with missing cell #37
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btw - completely not urgent, I just fixed the xyz file and can now load it. It just seemed like a sensible default to build in. |
This should now be fixed in master: if cell is missing then AtomsBase |
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Just tried to read an xyz file that Ilyes sent me, a dataset of cumulene molecules in vacuum, therefore no cell is defined and the "cell" is missing entirely. Could the package be extended to allow this or is this when pbc = "FFF" and specifiy an automatic cubic cell that includes all particles.?
But maybe it goes against the specification of the format?
Example:
The text was updated successfully, but these errors were encountered: