Change Log#

Jul-26-2025: Version 1.4.1#

  • Small fix for specific case

May-31-2025: Version 1.4.0#

  • Maintenance release after refactoring

Feb-25-2025: Version 1.3.4#

  • Maintenance release after refactoring

Feb-11-2025: Version 1.3.3#

  • Fix minor translational invariance issues in O2, O3, and O4

Feb-10-2025: Version 1.3.2#

  • Use numerically stable version of O3 translational invariance

Feb-5-2025: Version 1.3.1#

  • Enabled cutoff parameter for fc2.

Feb-4-2025: Version 1.3.0#

  • Add Symfc.estimate_basis_set().