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deepmodeling / abacus-develop

An electronic structure package based on either plane wave basis or numerical atomic orbitals.
http://abacus.ustc.edu.cn
GNU Lesser General Public License v3.0
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Feature: make force and stress of sDFT support GPU #5487

Closed Qianruipku closed 1 week ago

Qianruipku commented 1 week ago
  1. make force and stress of sDFT support GPU
  2. refactor stress_nl, stress_kin, force_nl to make sDFT and KSDFT a unified framework.
  3. make GPU support band parallel calculations
  4. Add integrate tests for sDFT-GPU

    Linked Issue

    Fix #4314 and #5296. They can be closed.