pymatgen 1.1.1

Company: Shyue Ping Ong

Date Added: August 24, 2013 | Visits: 224

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Pymatgen is the python library that powers the Materials Project (http://www.materialsproject.org). This repo contains the public version of this powerful library. These are some of the key features: 1. Highly flexible classes for the representation of Element, Site, Structure objects. 2. Powerful io capabilities to manipulate many VASP input and output files (http://cms.mpi.univie.ac.at/vasp/) and the crystallographic information file format. This includes generating Structure objects from vasp input and output. 3. A comprehensive tool to generate and view compositional and grand canonical phase diagrams. The public version of pymatgen is free (as in free beer) to download and to use. However, we would also like you to help us improve this library by making your own contributions as well. These contributions can be in the form of additional tools or modules you develop, or even simple things such as bug reports. Please contact the maintainer of this library (shyue@mit.edu) to find out how to include your contributions via github or for bug reports.

Requirements: No special requirements

Platforms: *nix, Linux

Keyword: Canonical, Comprehensive, Diagrams, Download, Generating, Improve, Phase, Pymatgen

Users rating: 0/10

License: Freeware

Size: 92.16 KB

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