Problem: pressure with rigid and deform

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1

Dear all,

I am trying to use fix deform to compress pure rigid molecules and I found that forces are added between two lines of run.

In the running log, the pressure at the end of the first 'run 1000000' is 2.11e-5 and at the beginning of the second 'run 1000000', it is 2.67e-5, although nothing should happen here. A further look at the dump file shows that at this time step, forces are added on tetrahedrons on the boundary and they seem balanced. If we replace the two lines with run 1000000, this problem disappears. What could cause this problem?

I have canceled the neighbor list before run by neigh_modify and also tried the 'dilate none' trick, but they do not help. I am running the executable LAMMPS 64-bit 7Aug2019 on Win10.

Thanks!

My code is here:

2

Dear all,

I find out the problem. A 'ghost yes' should be added to the 'fix property/atom mol'. Thanks!