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Author:
None
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 associated documentation files (the "Software"...
Summary:
A package for operating Quantum Chemistry programs using qcio standardized data structures. Compatible with TeraChem, psi4, QChem, NWChem, ORCA, Molpro, geomeTRIC and many more.
Latest version:
0.12.2
Required dependencies:
qccodec
|
qcio
|
tomli-w
Optional dependencies:
geometric
|
qcelemental
|
qcengine
|
tcpb
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