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Popular repositories Loading

  1. i-pi-pyscf i-pi-pyscf Public

    interface of i-pi and pyscf

    Python 3

  2. scripts scripts Public

    analysing tools for qball_unc

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  3. QPARC-Challenge-2022 QPARC-Challenge-2022 Public

    Ruiyi's Qamuy Challenge 2022 input

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  4. abacus-develop abacus-develop Public

    Forked from deepmodeling/abacus-develop

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

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  5. RealtimePySCF RealtimePySCF Public

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    Realtime Extensions to PySCF (TDDFT etc.)

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  6. fewest-switch-surface-hopping fewest-switch-surface-hopping Public

    Forked from Paul-St-Young/fewest-switch-surface-hopping

    John Tully's fewest switch surface hopping algorithm

    Mathematica