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李李李....

新虫 (初入文坛)

[求助] lammps一直提示All pair coeffs are not set (src/pair_hybrid.cpp:721

pair_style hybrid/overlay airebo 2.0 reaxff NULL

pair_coeff * * airebo CH.airebo C NULL NULL NULL NULL NULL NULL

pair_coeff * * reaxff ffield.reax.CHO NULL O C H P F Li

这是我的部分指令,想用airebo来控制石墨里的碳原子,剩下电解液里的所有原子用reaxff力场,一直报出All pair coeffs are not set (src/pair_hybrid.cpp:721)这个错误是为什么呢
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JRYiee

新虫 (小有名气)

虽然我用的不是这两种混合势,但也出现相同的报错
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2楼2025-06-25 16:08:36
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