[lammps-users] Good methods for replacing lost atoms

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1

Hi,

What is the best way to replace atoms when the are lost? I want the number of atoms in my simulation (1000) to remain constant at every time step (for NVE or NVT ensembles). The following script works as I expected for the variable C, but not J.

variable C equal count(CNTs)
fix extra2 all print 1 "C count $C" file Ccount.txt screen no
variable J equal 1000-$C
fix constC CNTs deposit $J 1 1 6 region wholebox near 3 attempt 5 units box
run 1000

C is evaluated every time step and written to a file. However, J, the number of lost atoms, is evaluated only once so my lost atoms aren't being replaced. What's the correct syntax? Thanks in advance for your advice.

Nicholas J. Lee

2

This variable will eval J afresh (with a current C value)
each time J is evaluated:

variable J equal 1000-v_C

Your form will substitute for C once (immediately).
See the variable doc page.

Steve