Dear community!
I use the Fix deform variable command to perform controlled compression process. But when I put in equation current value of pressure I get ERROR: Per-atom virial was not tallied on needed timestep.
Does anybody meet the same problem? Any idea to solve this issues?
Below my script...
| Attachment | Size |
|---|---|
 test.txt | 3.91 KB |
lumblab227 | Mon, 05/06/2019 - 05:04
Please check whether your
Please check whether your variable(s) has(have) been initialized before computing quantities that you expect.