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License:
Copyright 2024 National Technology & Engineering Solutions of Sandia, LLC (NTESS). Under the terms of Contract DE-NA0003525 with NTESS, the U.S. Government retains certain rights in this software. Re...
Summary:
Neural Net Potential Energy Surface
Latest version:
1.1.2
Required dependencies:
aevmod
|
ase
|
h5py
|
numpy
|
pandas
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