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asedftk

DFTK-based calculator for ASE

Ecosystem
pypi.org
Latest Release
0.2.7
over 5 years ago
Versions
15
Downloads
89 last month
Dependent Repos
1
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    Readme
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    Links
    Registry pypi.org
    Source Repository
    Docs Documentation
    JSON API View JSON
    CodeMeta codemeta.json
    Package Details
    PURL pkg:pypi/asedftk
    spec
    License MIT
    First Release over 6 years ago
    Last Synced 4 months ago
    Keywords
    density-functional theory DFT computational chemistry quantum materials science electronic structure ab-initio pseudopotential analysis ASE DFTK ase atomistic-simulations density-functional-theory dftk electronic-structure julia python simulation
    Repository
    Stars 2 on GitHub
    Forks 0 on GitHub
    repos.ecosyste.ms