v1.3.1

sunqm released this 05 Feb 02:31

· 242 commits to master since this release

b82e219

New Features
- Analytical Hessian for PCM solvent model
- Driver for 3c methods (wB97x-3c, R2Scan-3c, B97-3c, etc.)
Improvements
- Preconditioner and computation efficiency of Davidson iterations for TDDFT

Assets 2