feature-request


About the feature-request category (1)
XYG3 or XYGJ-OS? (6)
Info about analytic gradients for wb97m-v or b97m-v functionals for use with OPTIMIZE keyword (8)
PCMSolver Parallelisation (9)
New functional: wB97M(2) double hybrid functional from Head-Gordon et al (5)
Dryrun with estimation of memory need for calculation (4)
HOMO LUMO extracting energies does not work (3)
Three-body SAPT analysis (1)
Scf level shift? (6)
Feature Requests for Psi4 ( 2 ) (29)
Geometry optimization with PCM (2)
Optimization with additional harmonic constraints (7)
Explicitly correlated methods (4)
Implement OD(T) in PSI4 (2)
B3LYP defect compatibility with GAMESS and Gaussian (12)
Is ROHF-BCCD(T) possible? ( 2 ) (21)
LRC-DFT gradients time plan? (4)
Allow upload or text files (4)