After months of runaway corporate usage, enterprise buyers are starting to treat AI as a budget problem as much as a ...

This project is an effort to create a library implementation of the extended tight binding (xTB) Hamiltonian which can be shared between xtb and dftb+. Goals of this project are create a high-level ...

Note: If you have some idea on how to improve the post processing script or found a bug, feel free to create a GitHub issue for that The plugin will generate ...