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Author:
Jan Janssen
License:
BSD 3-Clause License
Copyright (c) 2020, Max-Planck-Institut für Eisenforschung GmbH - Computational Materials Design (CM) Department
All rights reserved.
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Summary:
A fully automated approach to determine the melting temperature of crystalline materials.
Latest version:
2.0
Required dependencies:
ase
|
lammpsparser
|
matplotlib
|
numpy
|
pandas
|
pyscal3
|
scikit-learn
|
structuretoolkit
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