F/I-SAPT for (formally) open-shell fragments [Uncategorized] (1)
Confirmation for how CBS is computed [Uncategorized] (3)
How to tell plugin which blas library is used? [Developer News & Discussion] (2)
Energy from integrals and density matrices does not match output [Uncategorized] (3)
Is it possible to calculate transition dipole moments with ADC(2) [Uncategorized] (3)
New functional: wB97M(2) double hybrid functional from Head-Gordon et al [feature-request] (5)
How to select a functional with SAPT module [Psi4Education] (4)
Dropping highest virtual MOs in post-HF, in particular ADC(2), calculations [Uncategorized] (3)
Valence density cube file [Uncategorized] (4)
Dryrun with estimation of memory need for calculation [feature-request] (4)
HOMO LUMO extracting energies does not work [feature-request] (3)
Question on oscillator strength calculation using python API [Uncategorized] (2)
SAPT0 job fail,I am a beginner [Uncategorized] (2)
Looking for basis set BVWN5 [Uncategorized] (6)
Errors in CCSD(T) calculations [Uncategorized] (2)
Transition metal optimization [Uncategorized] (3)
Thermochemical analysis with DF-CCSD(T)? [Uncategorized] (7)
SAPT Memory Problem [Uncategorized] (6)
Thermodynamic Analysis [Uncategorized] (2)
NameError: name 'wfn' is not defined [Uncategorized] (4)
Reading Existing Wfn files [Uncategorized] (4)
Development proposal for OEProp [Developer News & Discussion] (3)
Three-body SAPT analysis [feature-request] (1)
Basic psi4numpy question for the DFT potential [Uncategorized] (6)
Building with high AM ( 2 ) [build] (22)
F-SAPT analysis of heavy-metal containing molecules [Uncategorized] (1)
Definitions of the Energy Terms [Uncategorized] (2)
SAPT charge transfer input file [Uncategorized] (1)
Getting syntax error in sapt charge transfer input file [Uncategorized] (2)
Iterations do not converge [Uncategorized] (13)