python3-pymatgen 2024.6.10+dfsg1-8 (ppc64el binary) in ubuntu oracular
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://
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.
Details
- Package version:
- 2024.6.10+dfsg1-8
- Status:
- Published
- Component:
- universe
- Priority:
- Optional
Downloadable files
Package relationships
- Depends on:
- libc6 (>= 2.17)
- python3 (<< 3.13)
- python3 (>= 3.12~)
- python3
- python3-joblib (>= 1~)
- python3-matplotlib (>= 3.8~)
- python3-monty (>= 2024.5.24~)
- python3-networkx (>= 2.2~)
- python3-numpy (>= 1:1.25.0)
- python3-numpy-abi9
- python3-palettable (>= 3.1.1~)
- python3-pandas (>= 2~)
- python3-plotly (>= 4.5.0~)
- python3-pybtex (>= 0.24.0~)
- python3-requests (>= 2.32~)
- python3-ruamel.yaml (>= 0.17.0~)
- python3-scipy (>= 1.13.0~)
- python3-spglib (>= 2.0.2~)
- python3-sympy (>= 1.6.2~)
- python3-tabulate (>= 0.9~)
- python3-tqdm (>= 4.60~)
- python3-uncertainties (>= 3.1.4~)
- Recommends: