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Author:
Paton Research Group
License:
Copyright 2017 Robert Paton, Colorado State University
Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files...
Summary:
Kinetic and equilibrium isotope effects from computed Hessians
Latest version:
2.6.0
Required dependencies:
goodvibes
|
numpy
Optional dependencies:
ase
|
pyquiver-kie
|
pytest
|
pytest-cov
|
ruff
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