pypi.org "judft" keyword
aiida-kkr 2.3.1
AiiDA plugin for the JuKKR codes36 versions - Latest release: almost 2 years ago - 1 dependent repositories - 218 downloads last month - 16 stars on GitHub - 1 maintainer
aiida-fleur 2.0.0
AiiDA Plugin for running the FLEUR code and its input generator. Also includes high-level workcha...15 versions - Latest release: over 3 years ago - 2 dependent packages - 1 dependent repositories - 349 downloads last month - 16 stars on GitHub - 1 maintainer
aiida-spirit 0.3.0
AiiDA plugin for the spirit code7 versions - Latest release: 8 days ago - 12 downloads last month - 4 stars on GitHub - 1 maintainer
Top 9.4% on pypi.org
65 versions - Latest release: over 3 years ago - 4 dependent packages - 4 dependent repositories - 865 downloads last month - 18 stars on GitHub - 3 maintainers
masci-tools 0.15.0
masci-tools is a collection of tools for materials science.65 versions - Latest release: over 3 years ago - 4 dependent packages - 4 dependent repositories - 865 downloads last month - 18 stars on GitHub - 3 maintainers
aiida-dataframe 0.2.0
AiiDA data plugin for pandas DataFrame objects5 versions - Latest release: over 1 year ago - 1 dependent package - 106 downloads last month - 5 stars on GitHub - 1 maintainer
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aiida
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forschungszentrum-juelich
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workflow
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magnetism
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high-throughput
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electronic-structure
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density-functional-theory
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condensed-matter-physics
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computational-materials-science
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band-structure
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all-electron
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dft
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spintronics
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full-potential
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material science
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ab-initio
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kkr
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juelich
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plane-wave
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utility
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hpc
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materials-science
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plots
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fitting
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visualization
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density-of-states
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materials-informatics
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parsing
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toolkit
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coherent-potential-approximation
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python
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pgi
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defects
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pandas
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ias
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dataframe
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greens-functions
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aiida-plugin
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aiida-framework
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multiple-scattering
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fleur
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inpgen
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workflows
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flapw
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