Uncategorized

Topic	Replies	Views	Activity
Making Topics that Get Answered 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…	2	3972	August 12, 2019
Welcome to the PSI4 Forum!	1	23363	July 16, 2015
Using Field Programmable Gate Array Acceleration?	2	27	December 16, 2024
Temperature options	2	24	December 9, 2024
Confusion about PsiAPI and polarizability calculations	0	18	December 5, 2024
Number of Basis Functions is Mismatched/Inconsistent!	2	28	November 19, 2024
Why does nuclear_repulsion_energy depend on the external electric field?	1	23	November 19, 2024
Does Psi4 Support Complex SCF?	1	27	November 18, 2024
My custom code isn't passing tests, help!	5	65	November 18, 2024
How to compute the SCF unrelaxed energy?	2	43	November 9, 2024
Spherical averaging of occupied orbitals on atoms	5	921	January 20, 2021
MP2 polarizability using finite field	4	1748	November 4, 2024
What's wrong with my attempt to test Brillouin's Theorem?	2	36	October 31, 2024
What's wrong with my attempt to reproduce the dipole moment?	1	34	October 31, 2024
Why am I getting strange results for transition metals in Psi4 1.5?	16	55	October 29, 2024
Where is psi4_dev located?	1	18	October 28, 2024
Multi-threading two-electron integrals	0	24	October 27, 2024
First order hyperpolarizability with DFT	0	27	October 19, 2024
RuntimeError when setting custom Ca and Cb matrices in Wavefunction	1	32	October 17, 2024
Mixed RHF and ROHF	3	35	October 15, 2024
Psimrcc energy calculation not right for symmetry c1	3	37	October 11, 2024
What meanings do the value "Total E, Thermal(internal) energy at 298.15 [K]" have?	3	39	December 5, 2024
Normalization of density in Cubeprop	4	59	October 4, 2024
Error in dihedral scan	0	18	September 24, 2024
Charge and multiplicity for non neutral fragments	1	42	September 24, 2024
Need Help Running Psi4 on Multiple Nodes with SLURM and OpenMPI	2	81	September 19, 2024
CP-corrected DBOC using Psi4/CFour	0	64	September 8, 2024
Print two electron integrals	5	2258	September 5, 2024
How force PSI4 to automatically print out E_BSSE?	2	47	August 23, 2024
Some questions about PSi4 1.9	0	57	August 18, 2024

Making Topics that Get Answered

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…