Please compile libint to support DF gradients [Uncategorized] (4)
Installation + enable gdma [Uncategorized] (3)
Psi4 User Survey [Uncategorized] (2)
Orbital reordering in DMRG calculations [Uncategorized] (2)
Orbital reordering in CASSCF [Uncategorized] (6)
Info about analytic gradients for wb97m-v or b97m-v functionals for use with OPTIMIZE keyword [feature-request] (8)
How to get calculation result directly in python? [Uncategorized] (3)
Hessian calc hangs [Uncategorized] (1)
PCMSolver Parallelisation [feature-request] (9)
Casscf on open-shell singlet [Uncategorized] (4)
F-SAPT analysis on transition states [Uncategorized] (14)
Dipole moment better then with MP2 [Uncategorized] (5)
FCHKWriter() writing wrongly formatted .fchk files [Uncategorized] (1)
NBO analysis in PSI4 [Psi4Education] (3)
Compiling issues on NERSC's Edison Computer [Uncategorized] (2)
Concurrent calculations using the python API [Uncategorized] (5)
Access to ao_multipoles from Psi4 API [Uncategorized] (5)
Help with mcscf convergence [Uncategorized] (9)
Unable to find a basis set for Iodine atom [Uncategorized] (5)
Dihedral Angle for Ethylene Glycol [Uncategorized] (4)
Print gradient contributions by separate in CCSD(T) [Uncategorized] (1)
Finite difference step for frequency calculation [Uncategorized] (3)
PCM solver doesn't allow CP correction? [Uncategorized] (4)
Capturing energy components as return structure in SAPT calculations in Python [Uncategorized] (5)
PSI4 run time error: <module> exec(content) [Uncategorized] (2)
F/I-SAPT for (formally) open-shell fragments [Uncategorized] (1)
Confirmation for how CBS is computed [Uncategorized] (3)
How to tell plugin which blas library is used? [Developer News & Discussion] (2)
Energy from integrals and density matrices does not match output [Uncategorized] (3)
Is it possible to calculate transition dipole moments with ADC(2) [Uncategorized] (3)