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v1.4.1, 2021-10-07
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@loriab loriab released this 08 Oct 02:24
· 714 commits to master since this release
v1.4.1
cd00f19

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.
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