Python module for quantum chemistry
Role in this project:
Back-end Developer Contributions:14 commits, 6 pushes in 1 year 10 months
Contributions summary:Bo-xiao's contributions primarily involve modifying and enhancing the Python module for quantum chemistry, pyscf. They fixed a bug related to output, and merged branches to incorporate changes. The code changes included updates to the core functionality of the package, specifically within the `scf/hf.py` and `lib/mcscf/fci_contract.c` files. This indicates an involvement in the underlying algorithms and computational methods of the library.
python-modulesquantum-chemistry
Contributions:6 commits, 1 push in 2 years 9 months