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Author:
Colton Hicks
License:
The MIT License (MIT)
Copyright (c) 2021 Colton Hicks
Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associ...
Summary:
A package for operating Quantum Chemistry programs using qcdata standardized data structures. Compatible with TeraChem, psi4, QChem, NWChem, ORCA, Molpro, geomeTRIC and many more.
Latest version:
0.16.0
Required dependencies:
qccodec
|
qcdata
Optional dependencies:
qccodec
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