siman

Name	siman JSON
Version	1.10.2 JSON
	download
home_page	https://github.com/dimonaks/siman
Summary	Manager for DFT calculations
upload_time	2025-07-22 13:31:22
maintainer	None
docs_url	None
author	Dmitry Aksenov
requires_python	None
license	GPL
keywords	dft vasp density functional theory neb dft+u paw gga monte-carlo
VCS
bugtrack_url
requirements	No requirements were recorded.
Travis-CI	No Travis.
coveralls test coverage	No coveralls.

            Manager for first-principles calculations.  
For manual see wiki tab at [github](https://github.com/dimonaks/siman/wiki) and our [wiki](https://wiki.storion.ru/soft/siman)

If you use this package please cite:  
Aksyonov et. al, *Understanding migration barriers for monovalent ion insertion in transition metal oxide and phosphate based cathode materials: A DFT study*, [Comp. Mat. Sci. 154, 449-458, 2018](https://doi.org/10.1016/j.commatsci.2018.07.057)  

Developers:
 - Dmitry Aksenov
 - Anton Boev
 - Arseniy Burov
 - Nikita Davydov
 - Marina Titarenko
            

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