Interfaces: Enhancing PSI4 Capabilities¶
PSI4’s capabilities 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 NumPy
- Interface to CFOUR by J. Stanton & 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 LIBEFP by I. Kaliman
- Interface to ERD by N. Flocke and V. Lotrich
- Interface to programs through FCHK files —
fchk() - Interface to gau2grid by D. G. A. Smith
- Interface to gCP by S. Grimme
- Interface to GDMA Distributed Multipole Analysis by A. J. Stone —
gdma() - Interface to Libint by E. Valeev
- Interface to Molden —
molden() - Interface to MRCC by M. Kállay
- Interface to PCMSolver by R. Di Remigio
- Interface to SIMINT by B. Pritchard
- Spin-Network-Scaled MP2 (SNS-MP2) by D. E. Shaw
- Plugin v2rdm_casscf by A. E. DePrince
- Interface to Libxc by M. A. L. Marques
