[lammps-users] A newbie question

Dear LAMMPS group:

I am new to lammps and have zero experience in molecular dynamics, but, find lammps very interesting.

Actually, I think that I only need a very small subset of the lammps capabilities and it will be appreciated if someone can shed some light on which libraries I need for my project.

The area I am working on involves mangetic particle separation. A test tube contains liquid (similar to water). The liquid contains thousands of paramagnetic particles. We then expose the test tube to magnetic field generated by permanent magnets. We would to know what percentage of particles can be attracted by the magnets given specified time, ie, how many particles will reach the tube wall where the magnets located.

I have computed the forces due to: magnetic field, drag, bouyance, weight. I would like to include the effect of collision. Also, if possible, specify a weak bonding force between particles so that particles can “stick” with each other or break up.

I was able to compile lammps (the serial version for now) on OpenSUSE 11.2 64 bit OS with default libraries. Is this all I need? Do I need any other special libraries for this purpose?
I was able to run the flow example, but, the “pour” example failed, probably missing some library.

Is there a way to include the force due to magnetic field (I have calculated the forces, just need to include it as external force field)? Are drag force/bouyance/weight included in LAMMPS?

Best Regards,

Pei

I was able to compile lammps (the serial version for now) on OpenSUSE 11.2 64 bit OS with default >libraries. Is this all I need? Do I need any other special libraries for this purpose?
was able to run the flow example, but, the "pour" example failed, probably missing some library.

Example pour requires you build with the granular package.

Is there a way to include the force due to magnetic field (I have calculated the forces, just need to include it >as external force field)? Are drag force/bouyance/weight included in LAMMPS?

Check the various "fixes" that LAMMPS has - e.g. fix gravity, fix
viscous, fix efield. If none
of those model what you want, then you'd have to write your own fix, which is
generally not hard. See doc/Section_modify.html.

Steve

Thanks a lot Steve for the reply!

Pei