Hello Christoph!
I ran into a problem using three atom_types -- two for particles and one for the walls -- which leads to my question:
Is the order for atom_types important or is there a mistake in my simulations? In one simulation I used type 1 and 3 for particles and 2 for walls and the results looked strange. After changing the order (-> type 1 and 2 for particles and type 3 for walls) the results are different (and seem to be more reliable). I also changed the order of the properties accordingly. In the simulation properties particle-wall interactions are the same for both types of particles but different to particle-particle interactions. For both particle types and also for interactions between the two particle types (in both directions) the properties are the same.
The properties were defined as
p-p p-w p-p &
p-w w-w p-w &
p-p p-w p-p
in the first case (type 1 particle, type 2 wall, type 3 particle) and
p-p p-p p-w &
p-p p-p p-w &
p-w p-w w-w
in the second simulation (type 1 and 2 particle, type 3 wall). Maybe this was not correct?
Thanks,
Christian
ckloss | Mon, 10/25/2010 - 16:18
Re: Is the order for atom_types important
>>Is the order for atom_types important
No, there is no intention to force some order
>>The properties were defined as...
Looks fine...
If you send me the scripts, I will have a look
Christoph