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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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Fixed passing of program_output argument in AdapterError subclasses t… #29

Closed coltonbh closed 2 months ago

coltonbh commented 2 months ago

…o super().__init(...) so that serialization happens correctly in BigChem.