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Author:
pyiron team
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 pyiron module for atomistic simulation workflows
Latest version:
0.2.2
Required dependencies:
ase
|
flowrep
|
matplotlib
|
numpy
|
pandas
|
pyiron-snippets
|
pyiron-workflow
|
pymatgen
|
pyscal3
|
scikit-learn
|
scipy
|
structuretoolkit
|
tqdm
Optional dependencies:
calphy
|
dynaphopy
|
lz-gb-code
|
nbclient
|
nbformat
|
phono3py
|
phonopy
|
pyiron-workflow-lammps
|
pytest
|
symfc
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