Welcome to the PSI4 Forum! [Uncategorized] (2)
EDA analysis with psi4 [Uncategorized] (14)
Optimisation under edf2 dft [Uncategorized] (4)
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)
RI-MP2/def2-tzvppd convergence issue for calculations with iodide [Uncategorized] (12)
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)
Optional XML Output from psi4 invocation [Developer News & Discussion] (8)
How to compile PSI4 with Tensorflow? [Uncategorized] (10)
Gradient() returns none but it should return a matrix object [Psi4Education] (5)
XYG3 or XYGJ-OS? [feature-request] (6)
Pair correlation energies with set pair_energies_print true [Uncategorized] (3)
SAPT2 calculation stops with a Segmentation fault error [Uncategorized] (12)
Name 'Wavefunction' is not defined......a beginner with problems [Uncategorized] (2)
Custom defined basis set [Uncategorized] (5)
Adding Rydberg basis [Uncategorized] (3)
Wrong symmetry detected for simple tetrahedral molecule [Uncategorized] (1)
Convergence algorithms [Uncategorized] (5)
Duplicate symbol when linking core.so [build] (3)
User time longer than wall time on one core [Psi4Education] (3)
Problem with tungsten - DFT and HF (SCF) - unreasonable energies [Uncategorized] (5)
Psi.gdma causes python to crash: `Could not open psi4 output for writing.unit = 51` [Uncategorized] (8)
Problems with Wavefunction object and fchk() interface [Uncategorized] (9)
Gradient() memory usage [Uncategorized] (8)
NMR chemical shift calculation [Uncategorized] (2)