Downloading SAPT

The following packages are available (any download requires SAPT license):
  1. SAPT2016 and SAPT(DFT) only. One will have to use a program such as GAMESS, GAUSSIAN, DALTON, etc. to compute the integrals and SCF vectors. For SAPT(DFT) only the DALTON program can be used as front-end.
  2. ATMOL1024 only. This is NOT the complete ATMOL package. Click here for a link to the input manual.
  3. All of the above.
  4. FIT and ASYMPTOTICS only (this includes ATMOL and POLCOR). The SAPT2016 package includes programs for DFT-based asymptotic calculations. This package is used for wavefuction-based asymptotics only.
  5. autoPES package. Note that to use autoPES, SAPT2016 is also required.
  6. psapt2K2. This is the “alpha” parallel version of the code. One will need to obtain and install GAMESS(US) as the SCF front-end.
  7. Three-body SAPT. Contains the programs calculating 3-body SAPT corrections for trimers. Users of SAPT3b should cite: V. F. Lotrich and K. Szalewicz “Symmetry-Adapted Perturbation Theory of Three-Body Nonadditivity of Intermolecular Interaction Energy”, J. Chem. Phys. 106, 9668 (1997) and V. F. Lotrich and K. Szalewicz “Perturbation Theory of Three-Body Exchange Nonadditivity and Application to Helium Trimer”, J. Chem. Phys. 112, 112 (2000). The package also incudes three-body SAPT(DFT) code [R. Podeszwa and K. Szalewicz, J. Chem. Phys 126, 194101 (2007)].
  8. Open-shell SAPT(DFT). Contains a special version of the SAPT codes for open-shell high-spin complexes [P. S. Żuchowski, R. Podeszwa, R. Moszyński, B. Jeziorski, and K. Szalewicz, “Symmetry-adapted perturbation theory utilizing density functional description of monomers for high-spin open-shell complexes”, J. Chem. Phys. 129, 084101 (2008).]
  9. SAPT2012.2. Former SAPT2012.2 release.
  10. SAPT2012.1. Former SAPT2012.1 release.
  11. SAPT2008.2. Former SAPT2008.2 release.
  12. SAPT2008.1. Former SAPT2008.1 release.
  13. SAPT2006. Former SAPT2006 release.
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