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ABACUS v3.0.5 is available for download!




Feature Updates

  • Feature: Optimize OpenMP support

  • Feature: Support GPU Davidson method

  • Feature: EXX numerical type is distinguished by new input parameter "exx_real_number" 

  • Compilation: Modify codes for compiling with Intel icx

  • Build: (conda) add DeePKS and Libxc support  

More information about latest updates (e.g. Test, Refactor, Bug fix and Documentation) can be found on our Github or Gitee repositories

Thank you to every developer for their contribution to ABACUS in such a difficult environment !!!