| Package Name | Access | Summary | Updated |
|---|---|---|---|
| dkh | public | Wolf, Reiher, and Hess's Douglas-Kroll-Hess (DKH) relativistic correction | 2025-03-25 |
| gdma | public | A. Stone's Gaussian distributed multipole analysis (GDMA) | 2025-03-25 |
| libefp | public | I. Kaliman's parallel implementation of the Effective Fragment Potential (EFP) method | 2025-03-25 |
| libint | public | Libint is E. Valeev's library for the evaluation of molecular integrals of many-body operators over Gaussian functions | 2025-03-25 |
| gcp | public | S. Grimme's geometrical counterpoise correction for DFT and Hartree--Fock quantum chemical methods | 2025-03-25 |
| pychemps2 | public | python interface to S. Wouters' spin-adapted implementation of DMRG for ab initio quantum chemistry | 2025-03-25 |
| v2rdm_casscf | public | E. DePrince's variational 2-RDM-driven CASSCF plugin to Psi4 | 2025-03-25 |
| ambit | public | J. Turney's C++ library for the implementation of tensor product calculations | 2025-03-25 |
| boost | public | No Summary | 2025-03-25 |
| pcmsolver | public | R. Di Remigio's API for the Polarizable Continuum Model | 2025-03-25 |
| iomp5 | public | Intel OpenMP redistributable library | 2025-03-25 |
| csx4psi | public | a spin-adapted implementation of DMRG for ab initio quantum chemistry | 2025-03-25 |
| gsl | None | http://www.gnu.org/software/gsl/ | 2025-03-25 |
| dftd3 | None | S. Grimme's dispersion correction for DFT, Hartree--Fock, and semi-empirical quantum chemical methods | 2025-03-25 |
| pymol | None | Schrödinger's Python-based molecular visualization system | 2025-03-25 |
| chemps2 | None | S. Wouters' spin-adapted implementation of DMRG for ab initio quantum chemistry | 2025-03-25 |
| openbabel | None | open source chemistry toolbox | 2025-03-25 |
