The Ghent Quantum Chemistry Package (GQCP) aims to provide an open-source domain specific language (DSL) for general electronic structure method development in spinor bases. This DSL is implemented in a C++ library with Python bindings.
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The Ghent Quantum Chemistry Package for electronic structure calculations
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lelemmen/GQCP
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The Ghent Quantum Chemistry Package for electronic structure calculations
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- C++ 90.6%
- Jupyter Notebook 7.9%
- CMake 1.2%
- TeX 0.3%
- Shell 0.0%
- Python 0.0%