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@TheochemUI

Theochem @ Háskóli Íslands

University of Iceland's Theoretical Chemistry group led by Prof. Hannes Jonsson

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  1. eOn eOn Public

    eOn v2 and beyond

    C++ 10 3

  2. pypotlib pypotlib Public

    Python bindings and ASE adapters for potlib

    Python 1

  3. potlibR potlibR Public

    Basic R helpers for potlib

    C++ 1

  4. atomicDists atomicDists Public

    A C++ library for distance calculations

    C++ 1

  5. otgpd_repro otgpd_repro Public

    OTGPD reproducer

    C++ 1

  6. mex_cuh2 mex_cuh2 Public

    A MATLAB interface to the CuH2 potential of the Jonsson group

    C

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