Dear all
I am using LAMMPS version 22 Aug, 2018. I am simulating the 3D system containing Gay Berne particles at high density such that particles are arranged in layers forming the Smectic A phase. But the particles’ director is not along the x axis and I need a system where the particles’ director aligns along x axis. I am trying to rotate the particles using ‘displace_atoms rotate’ command. In this case, the particles get rotated but then the layers are gone and the system changes to nematic phase. How can I just rotate the particles without any effect on the layers’ arrangement or where I am getting wrong in rotating the particles using displace_atoms command??
Thanks in advance.
Dear all
I am using LAMMPS version 22 Aug, 2018. I am simulating the 3D system containing Gay Berne particles at high density such that particles are arranged in layers forming the Smectic A phase. But the particles' director is not along the x axis and I need a system where the particles' director aligns along x axis. I am trying to rotate the particles using 'displace_atoms rotate' command. In this case, the particles get rotated but then the layers are gone and the system changes to nematic phase. How can I just rotate the particles without any effect on the layers' arrangement or where I am getting wrong in rotating the particles using displace_atoms command??
displace_atoms displaces entire groups of atoms. if you want to
change/set the orientation of individual atoms, you have to use the
"set" command.
axel.