Dear LAMMPS developers:
Maybe it is because I used fix nve:
fix 12 gt nve
fix 3 gt langevin 300 300 0.1 699483 zero yes
fix vib gt move wiggle NULL NULL 0.1 10 units box
after 100 steps,it warn:One or more atoms are time integrated more than once
after 300 steps,it report error:
ERROR: Lost atoms: original 13776 current 13752
Fix nve is essential ,but why fix nve is in conflict with fix move?What can I do to solve the problem?
Thank you very much.
Best wishes
Sincerely yours
Mi junxia
B/c they both move the atoms every timestep. If
you are using fix move on an atom, you don’t want to
also let it be changed by fix nve. Use 2 different
groups for the 2 sets of atoms.
Steve
Dear LAMMPS developers:
I want to let it be changed by fix nve,but also add a vibration in Z direction.
Which command can I use to realize it?
Thank you very much.
Best wishes
Sincerely yours
Mi junxia
Dear LAMMPS developers:
I want to let it be changed by fix nve,but also add a vibration in Z
direction.
Which command can I use to realize it?
you could try implementing the vibration indirectly through adding
forces using fix addforce.
axel.
You might also be able to use fix planeforce to zero the
z forces so that fix nve only moves the atoms in the xy plane.
Then if you use fix move to only set new z positions,
e.g. via its wiggle option, it might work as you expect.
Steve