python3-pymatgen - 2022.11.7+dfsg1-11+deb12u1 main

Pymatgen (Python Materials Genomics) is a robust, open-source Python
library for materials analysis. These are some of the main features:
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1.Highly flexible classes for the representation of Element, Site,
Molecule, Structure objects.
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2. Extensive input/output support, including support for VASP
(http://cms.mpi.univie.ac.at/vasp/), ABINIT (http://www.abinit.org/),
CIF, Gaussian, XYZ, and many other file formats.
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3. Powerful analysis tools, including generation of phase diagrams,
Pourbaix diagrams, diffusion analyses, reactions, etc.
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4. Electronic structure analyses, such as density of states and band
structure.
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5. Integration with the Materials Project REST API, Crystallography
Open Database.
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This package provides the pymtgen module for Python 3.