Dear all,
I want to use the values of per-atom vectors at each time step in "compute property/atom" and check them in an if loop afterwards. I have written this part of the script for this regard:
compute ff all property/atom update_on_run_end yes fx fy fz
variable fmag atom sqrt(c_ff[1]^2+c_ff[2]^2+c_ff[3]^2)
How can I access the vector fmag at each time step in the if loop?
Thanks in advance,
Nazanin
arnom | Thu, 02/01/2018 - 13:41
Have you tried using ${fmag},
Have you tried using ${fmag}, e.g. if '${fmag} > 10' then '...'