Pymatgen (python materials genomics) is a robust, open-source Python library for materials analysis. It currently powers the Materials ProjectThese are some of the main features:
  1. Highly flexible classes for the representation of Element, Site, Molecule, Structure objects.
  2. Extensive io capabilities to manipulate many VASP ( and ABINIT ( input and output files 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.
  3. Comprehensive tool to generate and view compositional and grand canonical phase diagrams.
  4. Electronic structure analyses (DOS and Bandstructure).
  5. Integration with the Materials Project REST API.
The purpose of this group is to inform users and developers of new features, as well as provide a forum to discuss usage, bugs, and features. 

Showing 1-21 of 275 topics
matgenie Shyue Ping Ong 4/5/16
pymatgen v4.4.8 Shyue Ping Ong 10/19/16
pymatgen v4.4.7 Shyue Ping Ong 10/19/16
no attribute 'all_symbols' Moshiour Rahaman 10/19/16
Zeo++ bug with pymatgen 4.3.0 Matthias Young 10/18/16
pymatgen v4.4.6 Shyue Ping Ong 10/17/16
pymatgen v4.4.5 Shyue Ping Ong 10/17/16
pymatgen v4.4.4 Shyue Ping Ong 10/17/16
pymatgen v4.4.3 Shyue Ping Ong 10/17/16
pymatgen v4.4.2 Shyue Ping Ong 10/17/16
Legend in Ternary phase diagram Moshiour Rahaman 10/13/16
pymatgen v4.4.1 Shyue Ping Ong 10/12/16
execute fails Moshiour Rahaman 10/12/16
error importing Vasprun ABHIRUP PATRA 10/5/16
anaconda package Donny Winston 9/29/16
pymatgen v4.4.0 Shyue Ping Ong 9/28/16
Windows support Nicholas Fette 9/27/16
pymatgen v4.3.1 Shyue Ping Ong 9/22/16
Incorrect structure from generated from "CIF" file for some systems Guoqiang Lan 9/21/16
pymatgen v4.3.2 Shyue Ping Ong 9/21/16
Is it possible to query ICSD data with pymaten? Zhe Luo 9/21/16
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