[lammps-users] fix langevin command and restart file

LAMMPS LAMMPS Mailing List Mirror
1

Dear all
I am working with SPIN package of LAMMPS to simulate magnetic properties of metallic nanoalloys.
According to instructions in manual, I use " fix langevin" command for thermostatting metal atoms and “fix langevin/spin” command to thermostatting magnetic spins of atoms.
Because of the random seeds in “fix langevin” command, the information of this fix is not saved in restart files.
Is there any way to overcome to this problem and use restart files in multistep jobs?

Thanks alot.

2

i don’t see a problem here. those numbers are supposed to be random, so the simulations are not going to be invalid if there is a change in the chain of (pseudo!) random numbers used in the langevin fixes. you will just get different trajectory sampling the same phase space.

axel.

3

Thanks for your reply.