siman

Release 1.7.0

Manager for DFT calculations

Homepage PyPI Python

Keywords
DFT, VASP, Density, Functional, Theory, NEB, DFT+U, PAW, GGA, Monte-Carlo
License
GPL-2.0+
Install
pip install siman==1.7.0

Documentation

Manager for first-principles calculations.
For manual see wiki tab at github

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

Stats

Dependencies
0
Dependent packages
0
Dependent repositories
0
Total releases
83
Latest release
First release
Stars
15
Forks
14
Watchers
1
Contributors
7
Repository size
19.4 MB
SourceRank
10

Development practices

Source repo 2FA enabled
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Package manager 2FA enabled
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Is security responsive
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Dependencies are managed
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Issue-free release available
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Succession plan available
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Package manager 2FA enabled
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Releases

1.2.9
1.2.6
1.2.7
1.2.8
1.2.2
1.2.3
1.2.5
1.2.4
1.3.1
1.3.0
See all 83 releases

Contributors

Aksenov Dmitry antonboev22 DarthFeiwante BinaryBeaver \ Власов Сергей Andrey Geondzhian


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