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Author:
None
License:
MIT License
Copyright (c) 2023, Yuan Chiang
Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated docum...
Summary:
Build amorphous solids and liquid mixtures from Materials Project structures using Packmol and machine learning interatomic potentials
Latest version:
0.2.0
Required dependencies:
ase
|
matcalc
|
matplotlib
|
monty
|
mp-api
|
numpy
|
pymatgen
|
python-dotenv
|
scipy
Optional dependencies:
ghp-import
|
jupyter-book
|
mace-torch
|
pre-commit
|
pytest
|
pytest-cov
|
ruff
|
sphinx
|
sphinx-autodoc-typehints
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