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psi4 / packages

Package Name Access Summary Updated
pylibefp-docs public No Summary 2025-03-25
def public No Summary 2025-03-25
tracker public No Summary 2025-03-25
abc public No Summary 2025-03-25
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
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

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