A simultaneous rigid scan and SAPT analysis [Uncategorized] (2)
About user-defined basis set in PSI4 [build] (10)
Weird Energy with DF-CCSD(T) on pre-built 1.2 binary [Uncategorized] (12)
Atom Name Error [Uncategorized] (2)
SAPT2+ Calculations on K+, Rb+, and Cs+ complexes [Uncategorized] (5)
How can I change max iteration in energy method? [Uncategorized] (7)
wB97X-V and wB97M-V setup [Uncategorized] (7)
Continuum states [Uncategorized] (2)
Memory leak in psi4.energy() [Uncategorized] (5)
How can I get Couloumb integrals with Psi4? [Uncategorized] (12)
CI calculation with orbitals from external source [Uncategorized] (1)
Meaning of E symbol (left superscript) from Psi4 documnetation [Psi4Education] (2)
Geometry optimization fails due to changing comp. point group [Uncategorized] (7)
Losing symmetry on first step of geometry optimization [Uncategorized] (17)
Plugin with TargetLAPACK cannot find -lsvml during linking [build] (3)
Creating molecule object in python fails [Uncategorized] (4)
Four-center one-electron integral [build] (3)
Confused about ROOTS_PER_IRREP [Uncategorized] (12)
Issue after psi4 compilation psi4 1.3 dev [build] (6)
Algorithm behind GaussView 5.0 Clean function? [Developer News & Discussion] (3)
Can I get a CCSD(T) unrelaxed density matrix? [Uncategorized] (1)
CCSD density matrix ( 2 ) [Uncategorized] (25)
Merz-Kollman grid point for ESP [Uncategorized] (3)
Solved is now on the Forums [Site Feedback] (1)
Can't run relativistic calcs with decontracted basis sets [Uncategorized] (5)
Energies of the scf cycles [Uncategorized] (3)
Nested parallelism? [Uncategorized] (18)
Optimisation under edf2 dft [Uncategorized] (6)
Software To read psi4 output particularly vibration analysis [Uncategorized] (5)
Scratch Directory creation [Uncategorized] (2)