native_files field for qcschema #2361
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loriab
commented
Nov 20, 2021
JonathonMisiewicz
approved these changes
Nov 20, 2021
hokru
approved these changes
Nov 22, 2021
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Description
In accordance with MolSSI/QCElemental#275, return certain files in qcschema to be pruned down by user protocols. Bump qcel to 0.24.0 (and qcng to 0.23.0 once it's minted). Note that this can't handle the wfn file b/c binary. And it can't handle
timer.datb/c there's no fixed place it lands (I can get it to save calling schema_wrapper directly but not for QCEngine calling psi4).Checklist
Status