Version 1.1.0
This release includes major improvements on CASPT2 nuclear gradient code. In addition, 4RDM is no longer constructed explicitly in CASPT2 energy calculations. Several minor bug fixes are also included.
This release includes major improvements on CASPT2 nuclear gradient code. In addition, 4RDM is no longer constructed explicitly in CASPT2 energy calculations. Several minor bug fixes are also included.