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.
dariavh/GQCP
Folders and files
| Name | Name | Last commit date | ||
|---|---|---|---|---|
Repository files navigation
Languages
- C++ 91.3%
- Jupyter Notebook 6.8%
- CMake 1.6%
- TeX 0.3%
- Shell 0.0%
- Dockerfile 0.0%