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Source: pymatgen-test-files
Section: python
Priority: optional
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Uploaders: Drew Parsons <dparsons@debian.org>
Build-Depends: debhelper-compat (= 13),
Standards-Version: 4.7.2
Homepage: https://pymatgen.org/
Vcs-Browser: https://salsa.debian.org/debichem-team/pymatgen-test-files
Vcs-Git: https://salsa.debian.org/debichem-team/pymatgen-test-files.git
Package: pymatgen-test-files
Architecture: all
Multi-Arch: foreign
Depends: ${misc:Depends}
Recommends: python3-pymatgen
Breaks: python3-pymatgen (<< 2023.2.22~)
Description: Python Materials Genomics for materials analysis (test files)
Pymatgen (Python Materials Genomics) is a robust, open-source Python
library for materials analysis. These are some of the main features:
.
1.Highly flexible classes for the representation of Element, Site,
Molecule, Structure objects.
.
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.
.
3. Powerful analysis tools, including generation of phase diagrams,
Pourbaix diagrams, diffusion analyses, reactions, etc.
.
4. Electronic structure analyses, such as density of states and band
structure.
.
5. Integration with the Materials Project REST API, Crystallography
Open Database.
.
This package provides the test files used by pymatgen tests.
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