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psi4 / packages

Package Name Access Summary Updated
openfermionpsi4 public Google's plugin allowing OpenFermion to interface with Psi4 2025-03-25
openfermion public Google's electronic structure package for quantum computers 2025-03-25
gpu_dfcc public E. DePrince's GPU-accelerated coupled-cluster with density fitting plugin to Psi4 2025-03-25
resp public A. Alenaizan's restrained electrostatic potential (RESP) plugin to Psi4 2025-03-25
psi4-docs public Psi4 HTML documentation 2025-03-25
jsonpickle public Python library for serializing any arbitrary object graph into JSON. It can take almost any Python object and turn the object into JSON. Additionally, it can reconstitute the object back into Python. 2025-03-25
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
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
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
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
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
libxc public M.A.L. Marques's exchange-correlation functionals for density-functional theory 2025-03-25
dkh public Wolf, Reiher, and Hess's Douglas-Kroll-Hess (DKH) relativistic correction 2025-03-25

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