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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++ 7 2

  2. potlib potlib Public

    A repository of potential energy surface functions

    C++ 1 1

  3. pypotlib pypotlib Public

    Python bindings and ASE adapters for potlib

    C++ 1

  4. potlibR potlibR Public

    Basic R helpers for potlib

    C++ 1

  5. atomicDists atomicDists Public

    A C++ library for distance calculations

    C++ 1

  6. mex_cuh2 mex_cuh2 Public

    A MATLAB interface to the CuH2 potential of the Jonsson group

    C

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