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ABACUS v3.8.1 is available for download!

 

Time:2024-10-21

 

Feature Updates

  • Feature: Becke's partition for multi-center grid integration

  • Feature: Enable Pytorch backend for DeepMD-kit v3

  • Feature: Support outputting real space wave functions in Gaussian CUBE format

  • Feature: Update new version of dav_subspace with higher performance

  • Fix: Performance and memory for NSPIN=4 in LCAO base 

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