thanks for your attention
but I have no distinct list .
I use input script file in loop and for example, for group 1 , in each step I have different list of Atom ID that earned from MAtLAB code.
I can’t change list manual.
I want to read list as input.
thanks for your attention
but I have no distinct list .
I use input script file in loop and for example, for group 1 , in each step
I have different list of Atom ID that earned from MAtLAB code.
I can't change list manual.
I want to read list as input.
you are not making sense. whatever you do, it will have to become a
LAMMPS input command at some point. groups are static. if you need
more complex analysis, you have to write c++ code and a custom compute
or fix.
axel.
If what is in the file are atom IDs (produced by Matlab), then
there the variable file (or atomfile) command will read
values from a file and assign them to a variable. Then
a group command could define a group with certain atoms
in it, that are defined using a variable in the group command.
Steve