|||
若出现一下错误提示
ERROR: Thermo keyword in variable requires thermo to use/init pe (../thermo.cpp:1052)
解决办法:
Thermo keywords are initialized only after a run/minimize command. Add a "run 0" after the variable command.
参考:https://sourceforge.net/p/lammps/mailman/message/31362302/
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