Welcome to the PSI4 Forum! (2)
Creating molecule object in python fails (3)
Losing symmetry on first step of geometry optimization (7)
Can I get a CCSD(T) unrelaxed density matrix? (1)
CCSD density matrix ( 2 ) (25)
Confused about ROOTS_PER_IRREP (10)
Merz-Kollman grid point for ESP (3)
Problems with Wavefunction object and fchk() interface (11)
Geometry optimization fails due to changing comp. point group (4)
Can't run relativistic calcs with decontracted basis sets (5)
Energies of the scf cycles (3)
Nested parallelism? (18)
Optimisation under edf2 dft (6)
Software To read psi4 output particularly vibration analysis (5)
Scratch Directory creation (2)
EDA analysis with psi4 (16)
Problems with DKH calculations (5)
RI-MP2/def2-tzvppd convergence issue for calculations with iodide (14)
SAPT0 how can I know the accuracy of the interaction components? (3)
SAPT0 on Ca, Mg complexes (4)
Calculation of IR intensities (3)
ISAPT partitioning that cuts 2 sigma bonds in 1 fragment (4)
A-SAPT calculations / analysis (6)
How to compile PSI4 with Tensorflow? (10)
Pair correlation energies with set pair_energies_print true (3)
SAPT2 calculation stops with a Segmentation fault error (12)
Name 'Wavefunction' is not defined......a beginner with problems (2)
Custom defined basis set (5)
Adding Rydberg basis (3)
Wrong symmetry detected for simple tetrahedral molecule (1)