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psi4 / packages

Package Name Access Summary Updated
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
psi4 None No Summary 2025-03-25
pyambit public J. Turney's C++ library for the implementation of tensor product calculations 2023-06-18
pylibxc public M.A.L. Marques's exchange-correlation functionals for density-functional theory 2023-06-18
libxc-f public M.A.L. Marques's exchange-correlation functionals for density-functional theory 2023-06-18
libxc-c public M.A.L. Marques's exchange-correlation functionals for density-functional theory 2023-06-18
psi4-cov public Psi4 HTML documentation 2023-06-16

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