tblite/tblite

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Light-weight tight-binding framework 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+. The current state of this project should be considered as highly experimental. Goals of this project are create a high-level interface to the extended tight binding methods allow low-level access to the components forming the actual energy expression provide a framework to handle and manipulate parametrization...