fast lightweight smooth overlap atomic position (SOAP) calculator. see github.com/SINGROUP/SOAPLite for detailed documentations.

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  • License: GNU Lesser General Public License v3 (LGPLv3) (LGPLv3)
  • Author: Eiaki V. Morooka
  • Tags smooth, overlap, of, atomic, positions, materials, science, machine, learning, soap, descriptor, fast, analytic, quantum, chemistry, local, environment, materials, physics, symmetry, reduction
  • Requires: Python >=2.2, <4
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  • License: GNU Lesser General Public License v3 (LGPLv3) (LGPLv3)
  • Author: Eiaki V. Morooka
  • Tags smooth, overlap, of, atomic, positions, materials, science, machine, learning, soap, descriptor, fast, analytic, quantum, chemistry, local, environment, materials, physics, symmetry, reduction
  • Requires: Python >=2.2, <4
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