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ABACUS v3.1.1 is available for download!




Feature Updates

  • Feature: Add single precision support for multi-device ops

  • Feature: Add multi-device support fir HPsi(Meta)

  • Feature: Add ROCm implementation

  • Feature: Openmp support for modules

  • Feature: Enable relax and cell-relax for lj/dp potential

  • Bug: Fix memory leak in some functions

  • Bug: Mulliken charge for spin-down with gamma-only mode

  • Bug: initial magnetization with both element and atoms

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