v1.4.1 — October 2021

  • Thursday, Oct 7, 2021




Release Notes

Bug Fixes

  • #2283 largely fixes blatantly wrong SCF energies for omega functionals, especially with threading. Report any persisting discrepancies between set omega_combine true/false to #2279, please.
  • #2273 allows the set scf_properties mbis_charges; energy("scf") route to MBIS charges to run again without failing for missing data. The mbis_volume_ratios property must now be requested separately (properties were combined in v1.4).
  • #2292 lowers the instruction set requirements to run the Windows conda package from AVX2 to AVX. Appears to solve problems in the wild.