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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Updated XTBAdapter to capture logs from system stdout because xtb doe… #23
…s not close the file handles it opens for writting logs and this would create OSError: [Errno 24] Too many open files.