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dftb-rs-python

Pure-Rust density functional tight binding (DFTB1/2/3, LC-DFTB, TD-DFTB, spin, +U, dispersion) with an ASE calculator

Ecosystem
pypi.org
Latest Release
0.1.1
3 months ago
Versions
2
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    Links
    Registry pypi.org
    Source Repository
    Docs Documentation
    JSON API View JSON
    CodeMeta codemeta.json
    Package Details
    PURL pkg:pypi/dftb-rs-python
    spec
    License GPL-3.0-or-later
    First Release 3 months ago
    Last Synced 3 months ago
    Keywords
    dftb tight-binding quantum-chemistry ase computational-chemistry
    Repository
    Stars 0 on GitHub
    Forks 0 on GitHub
    repos.ecosyste.ms