GAP.tar.gz

上传者: Mapleloveyu | 上传时间: 2025-08-04 10:46:04 | 文件大小: 8.46MB | 文件类型: GZ
适用于lammps的扩展包QUIP,建立GAP势函数的必要文件。 A pair_style quip command which wraps the QUIP libAtoms library, which includes a variety of interatomic poten-tials, including Gaussian Approximation Potential (GAP) models developed by the Cambridge University group. To use this package you must have the QUIP libAtoms library available on your system. Author: Albert Bartok (Cambridge University)

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