PySCF v2.1.1 release

github-actions released this 23 Sep 23:03

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

Assets 2