psi4
by Psi4
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Packages
| Name | Latest Version | Summary | Updated | License |
|---|
| abc | 2.0 | — | Mar 25, 2025 | — |
| adcc | 0.15.9 | adcc: Seamlessly connect your program to ADC | Mar 25, 2025 | GPL-3.0 |
| am7 | 0.1 | metapackage tracking feature Libint MAX_AM_ERI=7 | Mar 25, 2025 | None |
| am8 | 0.1 | metapackage tracking feature Libint MAX_AM_ERI=8 | Mar 25, 2025 | None |
| ambit | 0.6 | J. Turney's C++ library for the implementation of tensor product calculations | Mar 25, 2025 | LGPL-3.0 |
| bfdb-jupyter | 1.0 | — | Mar 25, 2025 | — |
| boost | 1.57.0 | — | Mar 25, 2025 | Boost-1.0 |
| chemps2 | 1.8.11 | S. Wouters' spin-adapted implementation of DMRG for ab initio quantum chemistry | Mar 25, 2025 | GPL-2.0+ |
| ci-psi4 | 1.2 | a continuous integration offset download counter for Psi4 | Mar 25, 2025 | — |
| ci-psi4-lt | 0.1 | a continuous integration offset download counter for Psi4 link-time libraries | Mar 25, 2025 | — |
| cirq | 0.9.1 | Google's python framework for creating, editing, and invoking Noisy Intermediate Scale Quantum (NISQ) circuits | Mar 25, 2025 | Apache-2.0 |
| cppe | 0.1.3 | C++ and Python library for Polarizable Embedding calculations | Mar 25, 2025 | LGPL-3.0 |
| csx4psi | 0.0.8 | a spin-adapted implementation of DMRG for ab initio quantum chemistry | Mar 25, 2025 | — |
| dataclasses | 0.6 | An implementation of PEP 557: Data Classes | Mar 25, 2025 | MIT |
| deepdiff | 3.3.0 | Deep Difference and Search of any Python object/data. | Mar 25, 2025 | MIT |
| def | 1.0 | — | Mar 25, 2025 | — |
| dftd3 | 3.2.1 | S. Grimme's dispersion correction for DFT, Hartree--Fock, and semi-empirical quantum chemical methods | Mar 25, 2025 | GPL-1.0+ |
| dftd4 | v3.3.0 | A generally applicable London dispersion correction | Mar 25, 2025 | LGPL-3.0-or-later |
| dkh | 1.2 | Wolf, Reiher, and Hess's Douglas-Kroll-Hess (DKH) relativistic correction | Mar 25, 2025 | — |
| erd | 3.0.6 | N. Flocke and V. Lotrich's Gaussian molecular integrals for AcesIII | Mar 25, 2025 | GNU General Public License v2 or later (GPLv2+) |
| fockci | 0.2.0 | S. Houck's Fock-space CI (RAS-nSF-IP/EA) plugin to Psi4 | Mar 25, 2025 | BSD-3-Clause |
| gau2grid | 2.0.7 | D.G.A. Smith's C library for fast computation of a Gaussian and its derivative on a grid | Mar 25, 2025 | BSD-3-Clause |
| gcc-5 | 5.2.0 | The GNU Compiler Collection | Mar 25, 2025 | GPL |
| gcc-5-mp | 5.2.0 | gcc-5 metapackage including pinned dependencies | Mar 25, 2025 | GPL |
| gcp | 2.0.2 | S. Grimme's geometrical counterpoise correction for DFT and Hartree--Fock quantum chemical methods | Mar 25, 2025 | GPL-1.0+ |