ABACUS Today is:
Home News

ABACUS v3.5.4 is available for download!




Feature Updates

  • Feature: Added json array support

  • Feature: Including the Slater  screening to more accurately estimate the radial function

  • Feature: extended support on arbitary atom symbols defined in STRU to calculate QO_OVLP data

  • Fix: fix accessing out-of-bounds in save_DMR() with changed nnr

  • Fix: mulliken_charge error for magnetism_atom_y

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