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GAP suite — Non-commercial License Agreement

Last updated: 19th August 2019

The GAP suite of programs (together “the Software”, protected by US patent US8843509B2), written by Dr Gabor Csanyi and Dr Albert Bartok-Partay of the University of Cambridge (the “Authors”) for describing the chemical environments of atoms and molecules and predicting potential energy surfaces, is copyrighted by the University of Cambridge and the Authors. Users at non-commercial institutions may obtain a copy for Non-commercial Purposes, by following these steps below. "Non-commercial Purposes" means use of the Software and/or any Software-derived data (including interatomic potentials) for academic research or other not-for-profit or scholarly purposes which are undertaken at an educational, non-profit, charitable or governmental institution that does not involve the production or manufacture of products for sale or the performance of services for a fee or other non-monetary value.

For commercial use of either or both the Software or any Software-derived data, please contact Cambridge Enterprise Limited at .

  1. This is a legal agreement between you (“USER”), and the Authors. By accepting, receiving, and using this Software, you are agreeing to be bound by the terms of this Agreement.

  2. The Authors hereby grant to the USER a non-exclusive, non-transferable personal licence to use the Software.

  3. The licence granted under this Agreement shall only entitle the USER to use the Software for Non-commercial Purposes. The use of the Software, or any code which is a modification of, enhancement to, derived from or based upon the Software, or Software-derived data, either directly or indirectly for any commercial purpose whatsoever is expressly forbidden. The USER may not sublicense, distribute or copy (except for archival purposes) the Software or enhancements thereto.

  4. If any academic paper or publication by the USER includes any set of interatomic potentials or other Software-derived data then the USER must timeously publish their full GAP model and source data (i.e. the underlying quantum mechanical data which were used as input to the GAP fitting procedure).

  5. If any academic paper or publication by the USER is based wholly or partially, directly or indirectly on the Software or any results derived from the Software then that paper or publication must cite:
    • A. P. Bartok et al. Physical Review Letters 104 136403 (2010)
    • A. P. Bartok et al. Physical Review B 87 184115 (2013)
    • That this Software is available for non-commercial use from

  6. The Software is the subject of copyright. Unauthorised copying of the Software is expressly forbidden. The University of Cambridge and the Authors retain all the rights in and title to the Software.

  7. The Software is provided "AS IS" and except as expressly provided in this Agreement no warranty, condition, undertaking or term, express or implied, statutory or otherwise, as to the condition, performance, satisfactory quality or fitness for purpose of the Software is given or assumed by the Authors or the University of Cambridge, and all such warranties, conditions, undertakings and terms are hereby excluded.

  8. The limitations and exclusions in this Agreement shall not apply in respect of claims for personal injury or death caused by negligence or in respect of fraud or fraudulent misrepresentation.

  9. EXCEPT AS PROVIDED BY CLAUSE 8, neither the AUTHORS nor the University OF CAMBRIDGE or its employees or students shall be liable for any damages or expenses of whatsoever nature and howsoever arising (including without limitation in contract, tort, negligence or for breach of statutory duty or misrepresentation) in connection with any right or licence granted or use of the Software or otherwise in connection with this Licence or any relationships established by it. Without prejudice to the generality of the foregoing, in the event that the AUTHORS, the University OF CAMBRIDGE, its employees or students should be found liable, then their aggregate liability for direct damages shall be limited to £100; and none of them shall be liable for any indirect, incidental, consequential or special damages including without limitation loss of profits, revenue, or business opportunity, loss of goodwill, data loss, business disruption or computer failure.

  10. The USER shall indemnify the Authors, the University of Cambridge, its employees and students in full against each and every claim made against any of them by any third party (including without limitation in contract, tort, negligence or for breach of statutory duty or misrepresentation) arising out of or in connection with the USER's use of the Software.

  11. The Authors accept no obligation to provide maintenance nor do they guarantee the expected functionality of the Software or of any part of the Software.

  12. This Agreement is effective until terminated. This Agreement will terminate automatically on notice from the Authors if the USER fails to comply with any provision of this Agreement. Upon termination the USER shall immediately destroy all copies of the Software.

  13. This Agreement and any matters relating to it shall be governed and construed in accordance with the laws of England and Wales and Authors and the USER hereby irrevocably submit to the exclusive jurisdiction of the English Courts.

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