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Welcome to the PSI4 Forum! (2)
Problems with Wavefunction object and fchk() interface (16)
Orbital localization on a dimer system (2)
Confusion About Threading (5)
How to verify executables from downloads page? (2)
Is there a solvent model in SAPT0 energy decomposition? (6)
RI-MP2/def2-tzvppd convergence issue for calculations with iodide ( 2 ) (27)
How to output localized orbitals in cube file format? (3)
Forces on atoms (4)
Basis functions evaluation on a user-defined grid (1)
How to generate the torsion, angle and bond parameters (2)
Calculate the RESP and AM1-BCC charges of a molecule (4)
Optimizing (nonstationary) conformations along a manual dihedral angle scan (9)
How do I prevent Psi from changing my geometry? (7)
How to put the AM1-BCC charges to the input file (2)
How to use b3lyp and aug-cc-pvdz together (2)
How to read a already generated Wavefunction from .wfn file (4)
When does Psi4 support TDDFT calculations? (3)
How to get electronic integral (3)
What is the syntax for the Da function? (3)
Exchange and Coulomb components in HF energy (9)
How to calculate DFA1@DFA2 (6)
Molden occupancies issue (5)
Boys orbital localization (5)
B3LYP segmentation fault (4)
A simultaneous rigid scan and SAPT analysis (2)
Weird Energy with DF-CCSD(T) on pre-built 1.2 binary (12)
Atom Name Error (2)
SAPT2+ Calculations on K+, Rb+, and Cs+ complexes (5)
How can I change max iteration in energy method? (7)