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Author:
Shin-ichi Koda
License:
MIT License
Copyright (c) 2025 Shin-ichi Koda
Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated doc...
Summary:
A Python package implementing the direct MaxFlux method and flat-bottom elastic network model for reaction path/transition state optimization.
Latest version:
1.2.2
Required dependencies:
ase
Optional dependencies:
build
|
cyipopt
|
ghp-import
|
pandas
|
pytest
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sphinx
|
sphinx-autodoc-typehints
|
sphinx-rtd-theme
|
torch
|
twine
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