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coltonbh / qcop

A package for operating Quantum Chemistry programs using qcio standardized data structures. Compatible with TeraChem, psi4, QChem, NWChem, ORCA, Molpro, geomeTRIC and many more.
MIT License
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geometric logs (DualOutputHandler) update to handle any arbitrary update function instead of just print_stdout #19

Open coltonbh opened 7 months ago

coltonbh commented 7 months ago

Update the DualOutputHandler to run arbitrary update functions to send logs anywhere. Have punted on this for now as it's not needed and will require some extra engineering work.

coltonbh commented 1 month ago

Probably better to just solve this by hoisting all update_func stuff to the BaseAdapter.compute() level and have all lower functions output their stdout to sys.stdout which I can capture in .compute() and run an update func in the background there. See #30 .