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abacusmodeling

Atomic-orbital Based Ab-initio Computation at UStc (ABACUS)

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  1. abacus-develop abacus-develop Public

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

    C++ 170 173

  2. LibRI LibRI Public

    C++ 15 7

  3. ABACUS-orbitals ABACUS-orbitals Public

    Python 7 7

  4. LibComm LibComm Public

    C++ 5

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