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ABACUS v3.2.1 is available for download!




Feature Updates

  • Feature: calculate asynchronous overlap matrix for Hefei-NAMD

  • Feature: enable iso NPT for md_prec_level=1

  • Feature: OpenMP for some module in PW

  • Perf: optimize rhog_stmmetry

  • Perf: Optimize RI

  • Build: using icpx in replace of icpc

  • Build: enablke icpx in Makefile build test and libxc in dynamic test

  • Bug fix: GenELPA upgrades to compatible with the latest version 

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