LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Mailing List Archives
Re: [lammps-users] Does LAMMPS use Bounding volume for rigid body collision detection in the broad phase?

# Re: [lammps-users] Does LAMMPS use Bounding volume for rigid body collision detection in the broad phase?

 From: Axel Kohlmeyer Date: Wed, 11 Oct 2017 20:28:24 -0400

On Wed, Oct 11, 2017 at 7:48 PM, KeepFIT wrote:

Dear Alex,

thank for reply.  Suppose rigid body 1 has n1 spheres and rigid body 2 has n2. Do we really need to evaluate the distance of each sphere in body 1 to each sphere in body 2? This operation is an O(n1 x n2) complexity.

​you are not paying attention to my explanations. what you are supposing here is *not* how LAMMPS computes interactions for rigid bodies.
also, your picture seems to imply that you are looking at only repulsive "hard" interactions.​ what LAMMPS does is much smarter.

As shown in the above picture, Bounding spheres (A, B) that tightly encompass composing spheres of a rigid body are constructed.

​they can only be as tight as the interaction cutoff allows. for, say, colloid particle interactions, these can be as long as 10 angstrom or more.​

(1) If A and B do not intersect, then we can skip the O(n1 x n2) pairwise tests.

(2)  If A and B do intersect, then rigid body 1 and 2 might be colliding, thus the  O(n1 x n2) pairwise tests are needed to calculate the contact force.

I checked the fix_rigid source codes, it seems that in Lammps the step (1) is ignored?

​as i already mentioned that is not needed. LAMMPS uses verlet lists, which is equivalent to put those bounding spheres _around each individual particle_.
so in your case ​2 you are actually computing more interactions than what LAMMPS will do. looking at the fix rigid code is *completely* irrelevant. all it does is sum up forces on the constituent particles to the rigid bodies, which is an O(N) operation. the force computation, which is for a sufficiently large system is also an O(N) operation thanks to the verlet lists (and generating verlet lists is O(N) as well, thanks to using binning into cell lists). i suggest you study the original LAMMPS paper or some of the introductory talk slides on the LAMMPS home page to see.

My understanding is that the neighbor list of a sphere in rigid body only contains spheres in other rigid bodies, hence the number of spheres in the list is quite low, as there are more space between angular bodies than that of spheres assembly. The resultant contact force acting on a rigid body is the sum of contact forces on each composing spheres, no need to do (1) and (2) as mentioned above.

​yes, this can be defined using the neigh_modify exclude command.​ please keep in mind, that LAMMPS is designed to handle a large variety of systems equally well. in my personal opinion, what LAMMPS is doing is, in fact, superior to what you are asking for.

axel.

best
David

On 11.10.2017 23:51, Axel Kohlmeyer wrote:

On Wed, Oct 11, 2017 at 4:36 PM, KeepFIT wrote:
Dear Lammper users,

I was wondering, whether  the bounding volume technique is used for finite size rigid bodies:

atom_style hybrid sphere molecular

For a pair of rigid bodies 1, 2, if they are far away from each other, it is not necessary to check the distance between spheres in each rigid body. Instead, using two spheres named A, B that encompass these 2 bodies, if A does not intersects B, we can say body 1 is definitely not colliding with body 2. If they do, then we can say they might insect, and detailed contacts between rigid body 1 and 2 need to be calculated.

​interactions in LAMMPS are not computed per rigid body, but per constituent particles. for the interactions between the constituent particle​ LAMMPS uses verlet lists.
so your concern does not apply.

axel.

Best,

David

------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
_______________________________________________
lammps-users mailing list
lammps-users@...655....net
https://lists.sourceforge.net/lists/listinfo/lammps-users

--
Dr. Axel Kohlmeyer  akohlmey@...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.

--
Dr. Axel Kohlmeyer  akohlmey@...92......  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.