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Pakket: python3-pymatgen (2024.1.27+dfsg1-7 en anderen)

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Python Materials Genomics for materials analysis

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 pymtgen module for Python 3.

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Pakket downloaden voor alle beschikbare platforms
Platform Versie Pakketgrootte Geïnstalleerde grootte Bestanden
alpha (unofficial port) 2023.06.23+dfsg1-4 2.087,5 kB16.005,0 kB [overzicht]
amd64 2024.1.27+dfsg1-7 2.462,2 kB16.226,0 kB [overzicht]
arm64 2024.1.27+dfsg1-7 2.429,4 kB16.271,0 kB [overzicht]
armel 2024.1.27+dfsg1-7 2.416,4 kB16.010,0 kB [overzicht]
armhf 2024.1.27+dfsg1-7 2.423,2 kB15.718,0 kB [overzicht]
hppa (unofficial port) 2023.06.23+dfsg1-4 2.088,7 kB15.766,0 kB [overzicht]
i386 2024.1.27+dfsg1-7 2.451,6 kB16.198,0 kB [overzicht]
m68k (unofficial port) 2024.1.27+dfsg1-5 2.418,7 kB15.995,0 kB [overzicht]
mips64el 2024.1.27+dfsg1-7 2.406,9 kB16.430,0 kB [overzicht]
ppc64 (unofficial port) 2023.06.23+dfsg1-4 2.093,9 kB16.209,0 kB [overzicht]
ppc64el 2024.1.27+dfsg1-7 2.446,7 kB16.528,0 kB [overzicht]
riscv64 2024.1.27+dfsg1-7 2.459,0 kB15.934,0 kB [overzicht]
s390x 2024.1.27+dfsg1-7 2.442,6 kB16.190,0 kB [overzicht]
sh4 (unofficial port) 2024.1.27+dfsg1-5 2.493,1 kB16.105,0 kB [overzicht]