ReaxFF parameter optimization for β-Ga₂O₃ MD simulations using Gaussian process Bayesian optimization

· · 来源:tutorial资讯

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Currently, only the macOS build has BLAS support as Win/Linux BLAS support is a rabbit hole that needs more time to investigate. On those platforms, numpy does win, but that won’t be the case for long! ↩︎,这一点在爱思助手下载最新版本中也有详细论述