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1. LibRI LibRI Public

   Forked from abacusmodeling/LibRI

   C++

2. gth2upf gth2upf Public

   A one-step script to convert GTH pseudopotential to ".upf" format using CP2K's ATOM module.

   Python 3 2

3. LRI-HPC-lab LRI-HPC-lab Public

   Is it possible to accelerate LibRI on GPU ?

   Cuda

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.

   C++ 3 1

5. AnTrans-RI AnTrans-RI Public

   a tensor-transpose analyzer for LibRI

   C++

6. szaboqc szaboqc Public

   Forked from NominHanggai/szaboqc

   《现代量子化学》汉化版

   TeX