pymatgen · PyPI

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Pymatgen (Python Materials Genomics) is a robust, open-source Python library for materials analysis. It currently powers the public Materials Project (http://www.materialsproject.org), an initiative to make calculated properties on a large number of materials available to materials researchers and designers. These are some of the main features:

Highly flexible classes for the representation of Element, Site, Molecule, Structure objects.
Extensive 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. There is also support for Gaussian input files and XYZ file for molecules.
Comprehensive tool to generate and view compositional and grand canonical phase diagrams.
Electronic structure analyses (DOS and Bandstructure).
Integration with the Materials Project REST API.

The latest stable version of pymatgen and its accompanying documentation (http://packages.python.org/pymatgen) is always on PyPI. The bleeding edge developmental version is available at our GitHub repo at https://github.com/materialsproject/pymatgen. If you wish to be notified via email of pymatgen releases, you may become a member of pymatgen’s Google Groups page (https://groups.google.com/forum/?fromgroups#!forum/pymatgen/).

Metadata

Release files for pymatgen 2.3.1

For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.

Source distribution (sdist)

Source distribution for pymatgen 2.3.1
File	Size	Uploaded
pymatgen-2.3.1.tar.gz	537.4 kB	Dec 3, 2012	Details

Built distribution (wheel)

Table of built distributions (wheels) for pymatgen 2.3.1
File	Interpreter	ABI	Platform	Reset
pymatgen-2.3.1-py2.7-macosx-10.6-intel.egg 1.2 MB Dec 3, 2012	Legacy Egg format	-	-	Details

Total release size: 1.7 MB

Release files / pymatgen-2.3.1.tar.gz

Download URL	pymatgen-2.3.1.tar.gz
Size	537.4 kB
Tags	Source
SHA-256 checksum How to use checksums	`5d84bc5dfda156f7b5fc4a2a31ca41370a5bb45b5139c5469492634afc4fa262`
BLAKE2b-256 checksum How to use checksums	`2f14454178ff1ba3edef36c8875f502fdcab4b73b8f831f07414800eeb8a51e7`
Upload date	Dec 3, 2012
Uploaded using Trusted Publishing? What is trusted publishing?	No

Release files / pymatgen-2.3.1-py2.7-macosx-10.6-intel.egg

Download URL	pymatgen-2.3.1-py2.7-macosx-10.6-intel.egg
Size	1.2 MB
Tags	Egg
SHA-256 checksum How to use checksums	`b820a9e9ac78e63918f47c0266c68a17d0199715033dfa3f89c1968d87321751`
BLAKE2b-256 checksum How to use checksums	`1f735679b07933ebbc79e073ae58657d76a4b211c95187c83cdc83d08f05b4ff`
Upload date	Dec 3, 2012
Uploaded using Trusted Publishing? What is trusted publishing?	No

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2.3.1 This release

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