Metadata-Version: 2.4
Name: siman
Version: 1.11.1
Summary: Manager for DFT calculations
Home-page: https://github.com/dimonaks/siman
Author: Dmitry Aksenov
Author-email: dimonaks@gmail.com
License: GPL
Keywords: DFT VASP Density Functional Theory NEB DFT+U PAW GGA Monte-Carlo
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: GNU General Public License (GPL)
Classifier: Operating System :: OS Independent
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: numpy
Requires-Dist: tabulate
Requires-Dist: pymatgen
Requires-Dist: pandas
Requires-Dist: scipy
Requires-Dist: six
Requires-Dist: matplotlib
Requires-Dist: ase
Requires-Dist: paramiko
Requires-Dist: adjustText
Requires-Dist: mp-api
Dynamic: author
Dynamic: author-email
Dynamic: classifier
Dynamic: description
Dynamic: description-content-type
Dynamic: home-page
Dynamic: keywords
Dynamic: license
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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
 - Tatyana Kobernik
 - Andrey Geondzhian
 - Nikita Davydov

