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siesta
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9 search results found
Atomsk
⭐
165
Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
Sisl
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159
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
Tb2j
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56
a python package for computing magnetic interaction parameters
Inelastica
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29
Python package for eigenchannels, vibrations and inelastic electron transport based on SIESTA/TranSIESTA DFT
Neuralxc
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24
Implementation of a machine learned density functional
Siesta
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16
FDF files for relaxation, PDOS and Denchar calculations in SIESTA 4.0.2 version as well as 4.1v and PSML supported version
Perfect Server Side Swift_ios App
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15
A family tree API server implementation with iOS client. Server has been implemented with Perfect: Server-Side Swift And iOS client is in pure Swift.
Somd
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8
Molecular dynamics package designed for the SIESTA DFT code.
Flos
⭐
5
Interfacing SIESTA to Lua scripts using the flook code
Related Searches
Dft Siesta (6)
Python Siesta (5)
Density Functional Theory Siesta (3)
1-9 of 9 search results
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