Interfaces: Enhancing Psi4 Capabilities¶
Psi4‘s capabilites have been expanded by interfacing with other software packages. These programs aren’t necessary for Psi4 to operate and may require additional licences, special platform capabilities, etc.
- Interface to CFOUR by J. Stanton and J. Gauss
- Interface to CheMPS2 by S. Wouters
- Interface to DFTD3 by S. Grimme
- Interface to DKH by A. Wolf, M. Reiher, and B. A. Hess
- Interface to programs through FCHK files,
fchk()
- Interface to GDMA Distributed Multipole Analysis by A. J. Stone,
gdma()
- Interface to LIBEFP by I. Kaliman
- Interface to PCMSolver
- Interface to Molden,
molden()
- Interface to MRCC by M. Kállay