McMaster University
Hamilton, Canada
Public research university in Hamilton, Ontario, Canada
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ChemTools
ChemTools is a free and open source Python library for interpreting the results of quantum chemistry calculations.
- atoms in molecules
- conceptual dft
- density matrices kinetic energy density
- + 2
- Python
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HORTON
HORTON is a Helpful Open-source Research Tool for N-fermion systems, written primarily in the Python programming language. The ultimate goal of HORTON is to provide a platform for testing new ideas on the quantum many-body problem at a reasonable computational cost.
- electronic structure theory
- quantum chemistry
- Python
- C++
- Cython
- + 6
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