Psi4Education


About the Psi4Education category (1)
MP2FIT auxillary basis set for DFMP2 (6)
Multiple calls of psi4.properties at cc level (1)
Excited state pes (5)
Gradient() returns none but it should return a matrix object (5)
User time longer than wall time on one core (3)
NBO analysis in PSI4 (3)
How to select a functional with SAPT module (4)
Vibrational Spectrum using Polarizable Continuum Model (4)
Learning how computers work (1)
Missing 'Molecular Orbitals' calculation (2)
Detecting optimization failure (6)
Q-Chem counterpart to Psi4Education (2)