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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. 2023-06-16
qc-iodata public No Summary 2023-06-16
cgrid public CGrid is a library for for molecular numerical integration 2023-06-16
python-cgrid public CGrid is a library for for molecular numerical integration. 2023-06-16
cardboardlint public No Summary 2023-06-16
roberto public No Summary 2023-06-16
grid public No Summary 2023-06-16
old_grids public No Summary 2023-06-16
meanfield public No Summary 2023-06-16
horton-manual public HORTON: Helpful Open-source Research TOol for N-fermion systems 2023-06-16
cma public No Summary 2023-06-16
gbasis public No Summary 2023-06-16
iodata public No Summary 2023-06-16
pycydemo public Python + Cython build tools testing project 2023-06-16
python-cellcutoff public CellCutoff is a library for periodic boundary conditions and real-space cutoff calculations. 2023-06-16
cellcutoff public CellCutoff is a library for periodic boundary conditions and real-space cutoff calculations. 2023-06-16
horton public Helpful Open-source Research TOol for N-fermion systems 2023-06-16
periodic public No Summary 2023-06-16
derivcheck public A robust and very sensitive tester for analytic partial derivatives 2023-06-16
libxc public Library of exchange-correlation functionals for density-functional theory 2023-06-16
doxygen public Documentation generator for C++ and other languages. 2023-06-16
cppcheck public A static analysis tool for C/C++ code. 2023-06-16
libint public two-body molecular integrals over Gaussian functions library 2023-06-16

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