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How to get in contact?

  • If you encounter any bugs or have technical questions, please first check the exisiting issues or open up a new issue on the respective GitHub repository

  • If you have questions about the theory, and in particular the GFN-xTB methods, benchmark sets, or free energy computations, feel free to contact [email protected]

  • For all other requests get in contact directly

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Copyright © 2022-2024 Philipp Pracht.

CREST 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.