Welcome to the PSI4 Forum! [Uncategorized] (2)
Issue after psi4 compilation psi4 1.3 dev [build] (6)
Algorithm behind GaussView 5.0 Clean function? [Developer News & Discussion] (3)
Creating molecule object in python fails [Uncategorized] (3)
Losing symmetry on first step of geometry optimization [Uncategorized] (7)
Can I get a CCSD(T) unrelaxed density matrix? [Uncategorized] (1)
CCSD density matrix ( 2 ) [Uncategorized] (25)
Confused about ROOTS_PER_IRREP [Uncategorized] (10)
Merz-Kollman grid point for ESP [Uncategorized] (3)
Problems with Wavefunction object and fchk() interface [Uncategorized] (11)
Geometry optimization fails due to changing comp. point group [Uncategorized] (4)
Solved is now on the Forums [Site Feedback] (1)
Can't run relativistic calcs with decontracted basis sets [Uncategorized] (5)
Energies of the scf cycles [Uncategorized] (3)
Nested parallelism? [Uncategorized] (18)
Optimisation under edf2 dft [Uncategorized] (6)
Software To read psi4 output particularly vibration analysis [Uncategorized] (5)
Scratch Directory creation [Uncategorized] (2)
EDA analysis with psi4 [Uncategorized] (16)
Problems with DKH calculations [Uncategorized] (5)
Installation problem with psi dmrg [build] (10)
RI-MP2/def2-tzvppd convergence issue for calculations with iodide [Uncategorized] (14)
MP2FIT auxillary basis set for DFMP2 [Psi4Education] (6)
Multiple calls of psi4.properties at cc level [Psi4Education] (1)
Excited state pes [Psi4Education] (5)
SAPT0 how can I know the accuracy of the interaction components? [Uncategorized] (3)
SAPT0 on Ca, Mg complexes [Uncategorized] (4)
Calculation of IR intensities [Uncategorized] (3)
ISAPT partitioning that cuts 2 sigma bonds in 1 fragment [Uncategorized] (4)
A-SAPT calculations / analysis [Uncategorized] (6)