Presence of ADP section in CIF leads to ignoring atoms without ADPs defined - Githubissues

peterspackman / occ

Open Computational Chemistry in C++

https://peterspackman.github.io/occ/

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Presence of ADP section in CIF leads to ignoring atoms without ADPs defined #17

Open peterspackman opened 1 month ago

peterspackman commented 1 month ago

This is a regression introduced by parsing of ADP data.