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Search results for python siesta
python
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siesta
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5 search results found
Sisl
⭐
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
⭐
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
Somd
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8
Molecular dynamics package designed for the SIESTA DFT code.
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