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2Â¥: Originally posted by xbb20121991 at 2015-08-06 12:57:04
compute s all stress/atom
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xbb20121991

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lammpsÊÖ²áдµÄ
compute              peratom all stress/atom NULL
compute              p all reduce sum c_peratom[1] c_peratom[2] c_peratom[3]
variable     press equal -(c_p[1]+c_p[2]+c_p[3])/(3*vol)
thermo_style custom step temp etotal press v_press
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