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13925835350新蟲 (小有名氣)
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[求助]
請問下面這段英文里的“ the volume is effectively infinity”怎么理解?
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請問下面這段英文里的“ the volume is effectively infinity”怎么理解,能解答一下嗎? the value that LAMMPS computes as pressure under non-periodic boundary conditions has no meaning. please see the formula, how pressure is computed here: http://lammps.sandia.gov/doc/compute_pressure.html under non-periodic boundaries, the volume is effectively infinity and doesn't change. what LAMMPS uses as volume of the simulation cell is truncated completely arbitrarily for technical and convenience reasons. thus if you correct for this arbitrary truncation, the pressure *must* be zero by definition, since any finite number divided by infinity results in zero. |
| 我只是字面反應,具體的我也不是這個方向的。但是問題應該在 “非周期性邊界條件“,既然邊界不是周期性的那就是說邊界無窮大?我也不懂,問問做模擬的吧 |



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