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pymatgen 2017.8.16

Python Materials Genomics is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project (https://www.materialsproject.org).

Package Documentation

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.

Pymatgen is free to use. However, we also welcome your help to improve this library by making your own contributions. These contributions can be in the form of additional tools or modules you develop, or feature requests and bug reports. Please report any bugs and issues at pymatgen’s Github page. If you wish to be notified of pymatgen releases, you may become a member of pymatgen’s Google Groups page.

 
File Type Py Version Uploaded on Size
pymatgen-2017.8.16-cp27-cp27m-macosx_10_7_x86_64.whl (md5) Python Wheel 2.7 2017-08-16 1MB
pymatgen-2017.8.16-cp35-cp35m-macosx_10_9_x86_64.whl (md5) Python Wheel 3.5 2017-08-16 1MB
pymatgen-2017.8.16-cp36-cp36m-macosx_10_7_x86_64.whl (md5) Python Wheel cp36 2017-08-16 1MB
pymatgen-2017.8.16-cp36-cp36m-win_amd64.whl (md5) Python Wheel cp36 2017-08-16 1MB
pymatgen-2017.8.16.tar.gz (md5) Source 2017-08-16 1MB