dp势函数拟合教程和课程(ABACUS+DeePMD+LAMMPS+DPGEN)铜掺杂铍晶体势函数拟合教程 - 计算化学公社 ...

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作者 Author: 朱雪刚 时间: 2024-4-4 11:18 标题: dp势函数拟合教程和课程(ABACUS+DeePMD+LAMMPS+DPGEN)铜掺杂铍晶体势函数拟合教程 本帖最后由 朱雪刚 于 2024-8-6 18:56 编辑 最近在写ABACUS+DeePMD+DPGEN+LAMMPS的教程,主要是以新手视角写一个自认为适合新手的教程,教程内容大致包括: ABACUS准确性测试, ABACUS+DPGEN ...


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