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theochem / packages

Package Name Access Summary Updated
qc-procrustes public Finding the optimal transformation(s) that makes two matrices as close as possible to each other. 2025-03-25
python-cgrid public CGrid is a library for for molecular numerical integration. 2025-03-25
cgrid public CGrid is a library for for molecular numerical integration 2025-03-25
cardboardlint public No Summary 2025-03-25
roberto public No Summary 2025-03-25
meanfield public No Summary 2025-03-25
old_grids public No Summary 2025-03-25
horton-manual public HORTON: Helpful Open-source Research TOol for N-fermion systems 2025-03-25
cma public No Summary 2025-03-25
horton public Helpful Open-source Research TOol for N-fermion systems 2025-03-25
periodic public No Summary 2025-03-25
gbasis public No Summary 2025-03-25
iodata public No Summary 2025-03-25
python-cellcutoff public CellCutoff is a library for periodic boundary conditions and real-space cutoff calculations. 2025-03-25
cellcutoff public CellCutoff is a library for periodic boundary conditions and real-space cutoff calculations. 2025-03-25
libint public two-body molecular integrals over Gaussian functions library 2025-03-25
libxc public Library of exchange-correlation functionals for density-functional theory 2025-03-25
doxygen public Documentation generator for C++ and other languages. 2025-03-25
derivcheck public A robust and very sensitive tester for analytic partial derivatives 2025-03-25
pycydemo public Python + Cython build tools testing project 2025-03-25
cppcheck public A static analysis tool for C/C++ code. 2025-03-25

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