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ABACUS v3.5.1 is available for download!




Feature Updates

  • Feature: Quasiatomic Orbital implementation

  • Feature: autoset efield related parameters

  • Feature: pythonization of two-center integral module

  • Feature: enable using spherical Bessel coefficients as an alternative to numerical atomic orbital file

  • Feature: add cg method for lcao basis 

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