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ABACUS v3.3.2 is available for download!




Feature Updates

  • Feature: add a parameter symmetry_autoclose to control the behavior when symmetry error occurs 

  • Refactor: two center intergral implemented in module_nao

  • Refactor: new CubicSpline interface 

  • Bug fix: add cuda arch 3.5 compilation support

  • Bug fix: wrong stress results of SCAN when NPROC_IN_POOLS is large

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