请问大家,lammps里这个error怎么解决?
error:virial was not tallied on needed timestep 手册里说,you are using a thermo keyword that requires potentials to have tallied the virial. but they didn't on this step
我是用了 compute stress all stress/atom NULL
thermo_style custom step temp etotal press vol
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今日热帖
好像是要删去null参数,但我记得是要结合ke
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