fix for damped dynamics ?

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1

Dear lammps users,

I have a system with two group of atoms : regular atoms and boundary atoms. I would like to perform standard time integration (e.g. nve or nvt) on the regular atoms and damped dynamics (i.e. set v=0 when f.v<0) on boundary atoms. The minimize command performs damped dynamics but if seems not to be appropriate for the present case.

I read lammps manual and lammps list unsuccessfully. Is there a fix performing damped dynamics ?

Thanks for you help. Regards,

Olivier

2

Dear lammps users,

I have a system with two group of atoms : regular atoms and boundary atoms. I would like to perform standard time integration (e.g. nve or nvt) on the regular atoms and damped dynamics (i.e. set v=0 when f.v<0) on boundary atoms. The minimize command performs damped dynamics but if seems not to be appropriate for the present case.

I read lammps manual and lammps list unsuccessfully. Is there a fix performing damped dynamics ?

As far as I know, the best that LAMMPS has to offer are fix viscous in combination with fix nve. If you need something more sophisticated, you would likely have to implement your own fix.

Axel.