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soap_turbo

Legal and copyright

soap_turbo is copyright (c) 2019-2021, Miguel A. Caro

soap_turbo is published and distributed under the Academic Software License v1.0 (ASL)

soap_turbo is distributed in the hope that it will be useful for non-commercial academic research, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the ASL for more details. You should have received a copy of the ASL along with this program (e.g., in a LICENSE.md file); if not, you can write to the original licensor, Miguel Caro (mcaroba@gmail.com). The ASL is also published at http://github.com/gabor1/ASL

When using this software, please cite the following reference:

Miguel A. Caro. Optimizing many-body atomic descriptors for enhanced computational performance of machine learning based interatomic potentials. Phys. Rev. B 100, 024112 (2019).

About the code

soap_turbo comprises a series of libraries to be used in combination with QUIP/GAP and TurboGAP.

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