PyPI page
Home page
Author:
None
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:
1.2.1
Required dependencies:
ase
Optional dependencies:
build
|
cyipopt
|
ghp-import
|
pandas
|
pytest
|
sphinx
|
sphinx-autodoc-typehints
|
sphinx_rtd_theme
|
torch
|
twine
Downloads last day:
60
Downloads last week:
186
Downloads last month:
386