Multisphere template with single sphere

Submitted by estefan31 on Tue, 12/06/2016 - 22:32

Will I mess up anything in the code if I change line 91 in fix_template_multispheres.cpp to read "if(nspheres < 1) error->fix_error(FLERR,this,"illegal number of spheres");" instead of "if(nspheres < 2 error->fix_error(FLERR,this,"illegal number of spheres");"?

I just want to create an assembly of spheres but get data that is only available to multisphere or aspherical particles. That way I can use multisphere computes to get quaternions and calculate particle rotations. When I use basic spheres and no multisphere fix I can't get particle rotation angles.

ckloss's picture

ckloss | Mon, 12/12/2016 - 21:46

Hi Estefan,

I am not 100% sure, but I think it would work - so try at your own risk..good luck ;-)

Best wishes
christoph

estefan31 | Sat, 03/25/2017 - 03:37

I ran an identical simulation with spheres and then with multispheres of only one sphere. The results were about the same, although the unbalanced forces are a little high with the multispheres. So I'd say there's no major problem with single-sphere multispheres, but you may have to run slightly slower simulations to keep everything in equilibrium.