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ABACUS v3.2.0 is available for download!




Feature Updates

  • Feature: add macro definition _DEBUG for test-only message

  • Feature: change output format related with Hefei-NAMD

  • Feature: add out_app_flag to control whether output matrix in an append manner 

  • Feature: enable three different precision levels for variable-cell MD

  • Build: add support for libxc 6.1

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