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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 5 3

2. ABACUS-ORBGEN ABACUS-ORBGEN Public

   Forked from abacusmodeling/ABACUS-orbitals

   New version of ABACUS numerical atomic orbital generation code

   Python 4 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++ 173 134

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