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)
Gradient() memory usage [Uncategorized] (8)
NMR chemical shift calculation [Uncategorized] (2)
Azobenzene PES scan along dihedral does not converge and does not behave as intended [Uncategorized] (2)
MP2 polarizability calculation [Uncategorized] (3)
Error on building psi4 from source [Uncategorized] (15)
Compute Orbital Gradient [Uncategorized] (3)
Timer.dat Output detailed [Uncategorized] (4)
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)