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ase-rsirfo

Restricted-Step Image Rational Function Optimisation (RS-I-RFO) as an ASE Optimizer subclass

Ecosystem
pypi.org
Latest Release
0.1.4
6 months ago
Versions
4
Downloads
608 last month
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    Registry pypi.org
    Source Repository
    Docs Documentation
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    CodeMeta codemeta.json
    Package Details
    PURL pkg:pypi/ase-rsirfo
    spec
    License GPL-3.0-or-later
    First Release 6 months ago
    Last Synced 4 months ago
    Keywords
    computational chemistry geometry optimisation transition state rational function optimisation ASE ase computational-chemistry optimization optimizer python python3 transition-state-theory transition-states
    Repository
    Stars 0 on GitHub
    Forks 0 on GitHub
    repos.ecosyste.ms