A variational mesh implementation to optimize meshes for quantum chemistry calculations with PySCF or PyFLOSIC.
To learn how the implementation works or how to use it, take a look inside the documentation.
The package can be installed using pip
pip install var-mesh
- Wanja Schulze - Maintainer - [email protected]
- Jens Kortus - Supervisor
- Sebastian Schwalbe - Co-worker - [email protected]
- Jakob Kraus - Co-worker - [email protected]
- Kai Trepte - Co-worker - [email protected]
- Simon Liebing - Co-worker
This project is licensed under the Apache 2.0 License - see the LICENSE file for details.