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@TheochemUI

Theochem @ Háskóli Íslands

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

Popular repositories Loading

  1. eOn eOn Public

    eOn v3 and beyond

    C++ 4 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

Repositories

Showing 10 of 10 repositories
  • theochem-web Public Forked from gialev/gialev.github.io

    Theochem lab website

    TheochemUI/theochem-web’s past year of commit activity
    SCSS 0 MIT 1 0 0 Updated Feb 4, 2025
  • eOn Public

    eOn v3 and beyond

    TheochemUI/eOn’s past year of commit activity
    C++ 4 BSD-3-Clause 2 61 (1 issue needs help) 2 Updated Jan 28, 2025
  • potlib Public

    A repository of potential energy surface functions

    TheochemUI/potlib’s past year of commit activity
    C++ 1 MIT 1 4 2 Updated Oct 8, 2024
  • fortran_cuh2_src Public

    Fortran source for a Copper Hydrogen potential

    TheochemUI/fortran_cuh2_src’s past year of commit activity
    Fortran 0 BSD-3-Clause 0 0 0 Updated Sep 26, 2024
  • pypotlib Public

    Python bindings and ASE adapters for potlib

    TheochemUI/pypotlib’s past year of commit activity
    C++ 1 MIT 0 5 0 Updated Sep 26, 2024
  • legacy_eongit Public Forked from TheochemUI/eOn
    TheochemUI/legacy_eongit’s past year of commit activity
    C++ 0 BSD-3-Clause 2 0 0 Updated Jul 30, 2024
  • eONpy Public

    Thin python bindings to the v2 eon client

    TheochemUI/eONpy’s past year of commit activity
    Emacs Lisp 0 MIT 0 0 0 Updated Jun 21, 2024
  • potlibR Public

    Basic R helpers for potlib

    TheochemUI/potlibR’s past year of commit activity
    C++ 1 MIT 0 0 0 Updated Nov 9, 2023
  • atomicDists Public

    A C++ library for distance calculations

    TheochemUI/atomicDists’s past year of commit activity
    C++ 1 MIT 0 6 0 Updated Aug 9, 2023
  • mex_cuh2 Public

    A MATLAB interface to the CuH2 potential of the Jonsson group

    TheochemUI/mex_cuh2’s past year of commit activity
    C 0 MIT 0 0 0 Updated Apr 27, 2023

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