Monday, 21 January 2019

Useful resources for pre- and postprocessing of files

Matgeni ( program based on pymatgen

http://matgenie.materialsvirtuallab.org/

The home page reads as flollow:
Matgenie is a materials analysis web app built on the Python Materials Genomics or pymatgen library founded by Professor Ong. It demos the most commonly used capabilities of pymatgen. Please use a relatively modern browser (e.g., recent Chrome, Safari or Firefox) supporting HTML5 for best results. For advanced usage, it is highly recommended that you install pymatgen. If you use this web app extensively in your research, please cite the following work:
Ong, S. P.; Richards, W. D.; Jain, A.; Hautier, G.; Kocher, M.; Cholia, S.; Gunter, D.; Chevrier, V. L.; Persson, K. A.; Ceder, G. Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis, Comput. Mater. Sci., 2013, 68, 314–319, doi:10.1016/j.commatsci.2012.10.028"

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