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Author:
None
License:
BSD 3-Clause License
Copyright (c) 2024, Max-Planck-Institut für Nachhaltige Materialien GmbH - Computational Materials Design (CM) Department
All rights reserved.
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Summary:
A LAMMPS workflow integration package for pyiron
Latest version:
0.1.0
Required dependencies:
ase
|
lz-gb-code
|
matplotlib
|
numpy
|
pandas
|
pyiron-lammps
|
pyiron-workflow
|
pyiron-workflow-atomistics
|
pyiron_snippets
|
pymatgen
|
scikit-learn
|
scipy
|
tqdm
Optional dependencies:
black
|
h5py
|
isort
|
jupyter
|
notebook
|
pysqa
|
pytest
|
pytest-cov
|
ruff
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