Release notes from https://github.com/pyscf/pyscf/releases/tag/v2.1.1
Added
CDERIArray class to load PBC GDF tensor
Improved
MCSCF fix_spin_ as a class for SA-CASSCF gradient compatibility
PBC GDF and MDF accuracy
PBC X2C hcore integrals performance
Fixed
Integral screening bug in ft_ao
EOM-EE RCCSD intermediates
MGGA fully polarized system bug
Updates may require up to 24 hours to propagate to mirrors. If the following command doesn't work, please retry later:
sudo dnf upgrade --refresh --advisory=FEDORA-2022-82824e3d31Please login to add feedback.
This update has been submitted for testing by jussilehtola.
This update's test gating status has been changed to 'ignored'.
This update has been pushed to testing.
This update has been submitted for stable by bodhi.
This update has been pushed to stable.