Light-weight tight-binding framework
Light-weight tight-binding framework#
This pages describe the usage and functionality of tblite tight-binding framework. The tblite project aims to provide an efficent and uniform interface to the (extended) tight-binding Hamiltonians.
This project does not provide a complete atomistic simulation environment, but the tools to build one. If you are looking for a simulation environment that provides the functionality available in tblite, checkout the available integrations.
The current state of this project should be considered as highly experimental.
- Built-in methods
- Hamiltonian Specification
- Repulsive contributions
- Electrostatic interactions
- London dispersion interactions
- Parameter file
- Fortran API
- C API
- Python API