This Python package is primarily a Python wrapper for API calls to the Molecular Orbital PACkage (MOPAC), which includes launching conventional MOPAC calculations from an input file. It is also intended to be a collection of pre-processing and post-processing tools to enhance the productivity of MOPAC users. User contributions of new tools are welcome and encouraged.
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Python tools for MOPAC calculations
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openmopac/mopactools
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