pypi.org "siesta" keyword
pysiesta 0.2.0
Python wrapper for the DFT code SIESTA.3 versions - Latest release: over 11 years ago - 1 dependent repositories - 9 downloads last month - 1 maintainer
Top 5.5% on pypi.org
54 versions - Latest release: 19 days ago - 4 dependent packages - 6 dependent repositories - 4.85 thousand downloads last month - 229 stars on GitHub - 1 maintainer
sisl 0.20.0 💰
Manipulation and post-processing of DFT output and creating tight-binding models for NEGF transport54 versions - Latest release: 19 days ago - 4 dependent packages - 6 dependent repositories - 4.85 thousand downloads last month - 229 stars on GitHub - 1 maintainer
atomistics 0.4.0
Interfaces for atomistic simulation codes and workflows61 versions - Latest release: 13 days ago - 4 dependent packages - 1.43 thousand downloads last month - 10 stars on GitHub - 2 maintainers
tb2j 0.9.22
TB2J: First principle to Heisenberg exchange J using tight-binding Green function method141 versions - Latest release: about 1 month ago - 1 dependent repositories - 3.85 thousand downloads last month - 102 stars on GitHub - 1 maintainer
aiida-siesta 2.0.0
A plugin for Siesta's basic functionality within the AiiDA framework.9 versions - Latest release: over 4 years ago - 2 dependent packages - 1 dependent repositories - 562 downloads last month - 7 stars on GitHub - 3 maintainers
grogupy 0.4.0
Python package calculating relativistic magnetic interactions for the generalised Heisenberg model.18 versions - Latest release: about 1 year ago - 23 downloads last month - 0 stars on GitHub - 1 maintainer
siestastepper 2.1.0
SIESTAstepper runs SIESTA step by step, designed for constrained calculations.14 versions - Latest release: about 4 years ago - 86 downloads last month - 0 stars on GitHub - 1 maintainer
dftanalyzer 2.0.7
Data visualization for DFT codes9 versions - Latest release: almost 2 years ago - 60 downloads last month - 1 maintainer
Related Keywords
dft
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physics
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DFT
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wannier90
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solid-state-physics
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solid-state
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density-functional-theory
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vasp
2
tight-binding
2
heisenberg-model
2
magnetism
2
condensed-matter
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geometry
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graphene
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gulp
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bigdft
1
bandstructure
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negf
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Heisenberg
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tbtrans
1
transiesta
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pyiron
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abinit
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ase
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gpaw
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lammps
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materials-science
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quantum-espresso
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exchange
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dynamics
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spin
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aiida
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electronic
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ab-initio
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molecules
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magnetic-materials
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quantum espresso
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SIESTA
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molecular calculations
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chemistry
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molecular-calculations
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python
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LCAO
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NEGF
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