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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Cannot sees stdout in real time when using a QCEngine adaptor. #18
They do their subprocess execution using subprocess.run so it's not possible to poll the process in real time and extract stdout. However, for programs like psi4 that are capturing logs in python perhaps there's a way to hack this and get access to the logs in real time??
They do their subprocess execution using subprocess.run so it's not possible to poll the process in real time and extract stdout. However, for programs like psi4 that are capturing logs in python perhaps there's a way to hack this and get access to the logs in real time??