国产ABACUS第一性原理软件使用体验如何 - 计算化学公社 - Powered by Discuz!
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ABACUS还支持杂化泛函方法（PBE0、HSE06），支持接入机器学习泛函DeePKS和机器学习势DeePMD， 并支持跑MD，以及在MD中调用FIRE方法进行优化。
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