Provides a calculator for DFTB+ to be used within the Atomic Simulation Environment (ASE) framework. It was originally derived from the DFTB calculator in ASE, but had been completely rewritten. The calculators API is not compatible with the API of the original calculator.
This project is maintained by the DFTB+ developers and is not part of the official ASE project.
DFTB+ ASE Calculator is free software: you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version.
DFTB+ ASE Calculator is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more details.