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  • Beijing Artificial Intelligence for Science Institute

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Pinned

  1. ABACUS-Pseudopot-Nao-Square ABACUS-Pseudopot-Nao-Square Public

    Enpower ABACUS calculation, for high efficiency, for high precision. Pseudopotential and Numerical Atomic Orbital library (developing)

    Python 2 3

  2. abacus_orbital_generation abacus_orbital_generation Public

    Forked from abacusmodeling/ABACUS-orbitals

    New version of ABACUS numerical atomic orbital generation code

    Python 1 1

  3. deepmodeling/abacus-develop deepmodeling/abacus-develop Public

    Forked from abacusmodeling/abacus-develop

    An electronic structure package based on either plane wave basis or numerical atomic orbitals.

    C++ 146 117

  4. chemgaloo chemgaloo Public

    a numerical simulation program for complicated kinetic chemical reactions system

    Python 1

  5. fp2a fp2a Public

    for input script conversion

    Python 1