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Author:
None
License:
BSD 3-Clause License
Copyright (c) 2021, Max-Planck-Institut für Eisenforschung GmbH - Computational Materials Design (CM) Department
All rights reserved.
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Summary:
An interface to atomistic simulation codes including but not limited to GPAW, LAMMPS, S/Phi/nX and VASP.
Latest version:
0.8.8
Required dependencies:
ase
|
assyst
|
atomistics
|
defusedxml
|
h5py
|
lammpsparser
|
matplotlib
|
mendeleev
|
mp-api
|
numpy
|
pandas
|
phonopy
|
pint
|
pyiron-base
|
pyiron-snippets
|
pylammpsmpi
|
pyscal3
|
scikit-learn
|
scipy
|
seekpath
|
spglib
|
sphinx-parser
|
structuretoolkit
|
vaspparser
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