Package Name | Access | Summary | Updated |
---|---|---|---|
deepdiff | public | Deep Difference and Search of any Python object/data. | 2025-03-25 |
pybind11 | public | Seamless operability between C++11 and Python | 2025-03-25 |
pygau2grid | public | D.G.A. Smith's C-based python module for fast computation of a Gaussian and its derivative on a grid | 2025-03-25 |
hungarian | public | Hungarian/Munkres algorithm for the linear assignment problem, in Python | 2025-03-25 |
snsmp2 | public | R. McGibbon's spin-network-scaled MP2 plugin to Psi4 | 2025-03-25 |
gau2grid | public | D.G.A. Smith's C library for fast computation of a Gaussian and its derivative on a grid | 2025-03-25 |
pylibefp | public | L. A. Burns's python bindings to libefp | 2025-03-25 |
sphinx-psi-theme | public | theme for Psi4 Sphinx docs, derived from Cloud | 2025-03-25 |
bfdb-jupyter | public | No Summary | 2025-03-25 |
ci-psi4 | public | a continuous integration offset download counter for Psi4 | 2025-03-25 |
ci-psi4-lt | public | a continuous integration offset download counter for Psi4 link-time libraries | 2025-03-25 |
lawrap | public | Thin C and C++ wrappers around the Fortran BLAS and LAPACK interfaces, meant to simplify usage and increase robustness while maintaining as low-level an interface as possible | 2025-03-25 |
gnu | public | No Summary | 2025-03-25 |
sse41 | public | No Summary | 2025-03-25 |
qcdb | public | No Summary | 2025-03-25 |
psi4-dev | public | Development support for Psi4 | 2025-03-25 |
psi4-lt-mp | public | link-time quantum chemistry add-ons for Psi4 | 2025-03-25 |
psi4-rt | public | Optional run-time add-ons to Psi4 | 2025-03-25 |
am7 | public | metapackage tracking feature Libint MAX_AM_ERI=7 | 2025-03-25 |
am8 | public | metapackage tracking feature Libint MAX_AM_ERI=8 | 2025-03-25 |
simint | public | B. Pritchard's vectorized Obara-Saika electron repulsion integrals | 2025-03-25 |
erd | public | N. Flocke and V. Lotrich's Gaussian molecular integrals for AcesIII | 2025-03-25 |
gcc-5-mp | public | gcc-5 metapackage including pinned dependencies | 2025-03-25 |
libxc | public | M.A.L. Marques's exchange-correlation functionals for density-functional theory | 2025-03-25 |
gcc-5 | public | The GNU Compiler Collection | 2025-03-25 |