Thermochemical analysis with DF-CCSD(T)? (7)
SAPT Memory Problem (6)
Thermodynamic Analysis (2)
NameError: name 'wfn' is not defined (4)
Reading Existing Wfn files (4)
Basic psi4numpy question for the DFT potential (6)
F-SAPT analysis of heavy-metal containing molecules (1)
Definitions of the Energy Terms (2)
SAPT charge transfer input file (1)
Getting syntax error in sapt charge transfer input file (2)
Iterations do not converge (13)
Using internal functions of PCMsolver from psi4 (getting surface functions) (4)
Optking assign Fe to S in Writing optimization data to binary file step (3)
PSIO Error SAPT Calculation (2)
Basis set Assignment problem (2)
Getting normal modes from a harmonic vibrational analysis (4)
Instantiating a Molecue object from actual Python data (3)
Exchange Energy Term in SAPT calculation (7)
PCMSolver Fatal Error: PSIO Error (4)
B3LYP and MP2 is in the same sapt2 calculation? (2)
Coordinates do not change (3)
Running SAPT jobs in loops (1)
Psi printing level (2)
No basis set found (2)
Printing results (1)
Approximate Total Time for SAPT2+3 (2)
Threading on Mac (15)
Job running in multiple threads (2)
My jobs didn't finish and stopped running (1)
Segfault projecting wfn onto new basis (2)