Psi4Education


Topic Replies Activity
About the Psi4Education category 1 July 17, 2015
How to tansform densities onto grids? 3 March 8, 2019
Meaning of E symbol (left superscript) from Psi4 documnetation 2 February 4, 2019
MP2FIT auxillary basis set for DFMP2 6 December 14, 2018
Multiple calls of psi4.properties at cc level 1 December 14, 2018
Excited state pes 5 December 10, 2018
Gradient() returns none but it should return a matrix object 5 December 3, 2018
User time longer than wall time on one core 3 November 11, 2018
NBO analysis in PSI4 3 September 25, 2018
How to select a functional with SAPT module 4 August 20, 2018
Vibrational Spectrum using Polarizable Continuum Model 4 December 5, 2017
Learning how computers work 1 May 31, 2017
Missing 'Molecular Orbitals' calculation 2 September 5, 2016
Detecting optimization failure 6 April 15, 2016
Q-Chem counterpart to Psi4Education 2 July 17, 2015