Hello, does any body know how to use the “fix move” in LAMMPS to do the following thing: I wanna apply displacements to a group of atoms during the entire simulation, the v_dx is defined as an “atom”-style variable, with both time (elapsed time) and space (position of atoms) dependency, in addition, all the other atoms outside the group move according to “nve”. This is what I would like to realize, however, LAMMPS manual said " When they invoke the atom-style variable, only atoms in the group are inlcuded in the formula evaluation. The variable evaluates to 0.0 for atoms not in the group". So, is there any way to avoid the atoms outside the group to be set to 0.0, can they evolve according to “nve”? or is there any other command able to do the things as I described? Many thanks!!
Best,
Shawn
Hello, does any body know how to use the "fix move" in LAMMPS to do the
following thing: I wanna apply displacements to a group of atoms during the
entire simulation, the v_dx is defined as an "atom"-style variable, with
both time (elapsed time) and space (position of atoms) dependency, in
addition, all the other atoms outside the group move according to "nve".
This is what I would like to realize, however, LAMMPS manual said " When
they invoke the atom-style variable, only atoms in the group are inlcuded
in the formula evaluation. The variable evaluates to 0.0 for atoms not in
the group". So, is there any way to avoid the atoms outside the group to
Where did you get this sentence from? It is not in the fix move doc page.
Fix move does not affect atoms outside the fix-group, so yes, you can time
integrate any atoms outside the group by using fix nve.
Ray