pymatgen · PyPI

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Pymatgen (python materials genomics) is the python library that powers the Materials Project (http://www.materialsproject.org). 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).

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.

Note that pymatgen, like all scientific research, will always be a work in progress. While the development team will always strive to avoid backward incompatible changes, they are sometimes unavoidable, and tough decisions have to be made for the long term health of the code.

For documentation and usage guide, please refer to the latest documentation at our github page (http://materialsproject.github.com/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 1.8.2

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 1.8.2
File	Size	Uploaded
pymatgen-1.8.2.tar.gz	169.4 kB	Apr 26, 2012	Details

Built distribution (wheel)

Table of built distributions (wheels) for pymatgen 1.8.2
File	Interpreter	ABI	Platform	Reset
pymatgen-1.8.2-py2.7.egg 606.5 kB Apr 26, 2012	Legacy Egg format	-	-	Details

Total release size: 775.9 kB

Release files / pymatgen-1.8.2.tar.gz

Download URL	pymatgen-1.8.2.tar.gz
Size	169.4 kB
Tags	Source
SHA-256 checksum How to use checksums	`f15509fa56275779f68697ae7fcb9c3296271872aa48cc8dc561fb9e5a299bc3`
BLAKE2b-256 checksum How to use checksums	`2380c915df35958c16c1f61ee4fbe5d40ad50f72b521e510decc1593eaa90127`
Upload date	Apr 26, 2012
Uploaded using Trusted Publishing? What is trusted publishing?	No

Release files / pymatgen-1.8.2-py2.7.egg

Download URL	pymatgen-1.8.2-py2.7.egg
Size	606.5 kB
Tags	Egg
SHA-256 checksum How to use checksums	`bea3765000ca11c78a742e80116eaaf1992e850455decc7361257005502f3fa3`
BLAKE2b-256 checksum How to use checksums	`052fb9084052d3afd1edf41cb6a3824b9008d901f573b2204e973f5fd7434c1b`
Upload date	Apr 26, 2012
Uploaded using Trusted Publishing? What is trusted publishing?	No

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1.8.2 This release

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