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Most questions that are answered on the Psi4 Forums are answered by a small group of developers and powerusers. Their time and energy is divided between their own research, further Psi development, and helping users. Acc…

3 August 12, 2019
Welcome to the PSI4 Forum! 2 July 16, 2015
Segmentation fault when using a wavefunction from file 4 April 7, 2020
Where was psi4 installed? 7 April 6, 2020
Running without WSL 3 April 5, 2020
I couldn' t optimize my molecule [version: 1.3.2] 7 April 5, 2020
Getting wavefunction object from file 5 April 5, 2020
How to Calculate ESP Charges with DFT/6,311G++(2d,2p)? 11 April 5, 2020
DFT SCF not converging 12 April 5, 2020
Error in running on centos (undefinted name ‘true’) 4 April 4, 2020
Lambda-CCSD(T) Density 9 April 4, 2020
Set GaussianShell coefficient? 5 April 3, 2020
Obtaining IP/EA using EOM-CC 2 April 2, 2020
DETCI finds an "extra" excited state 2 April 2, 2020
Frequency calculations result in `<built-in method X of PyCapsule object at Y> returned NULL without setting an error` 38 April 2, 2020
Embarrasingly parallel job 4 March 31, 2020
How to setup a dihedral scan 4 March 31, 2020
Convergence problems with EOM-CC3 3 March 26, 2020
Background point dipoles 4 March 23, 2020
Background charges in PsiAPI mode 3 March 23, 2020
Can the ADC code be run in parallel? 1 March 22, 2020
Add new dft functional from python side 5 March 21, 2020
Long range exchange energy changes with number of threads? 19 March 20, 2020
Post-SCF with custom matrices 11 March 18, 2020
DF-CCSD with aug-cc-pv6z? 4 March 18, 2020
Any easy way to generate a 3D (cubic) grid of density in RAM? 9 March 18, 2020
Dipole moment calculation with finite field doesn't work 14 March 13, 2020
DF-OCC iterations are diverging 13 March 12, 2020
Slight mismatching of CASSCF between "Total MCSCF energy" and "MCSCF root 0 energy" 3 March 10, 2020
Calculating ESP's based on a list of user-defined Cartesian coordinates 3 March 4, 2020