python-pymatgen-doc 2024.1.27+dfsg1-7ubuntu1 (amd64 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 is the documentation package for pymatgen.
Details
- Package version:
- 2024.1.27+dfsg1-7ubuntu1
- Status:
- Superseded
- Component:
- universe
- Priority:
- Optional