Integrated collection of LJ potential

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1

Hey all,

I am new to LAMMPS and this is my first post here.

I am trying to do simulation of Particles (sphere) with LJ interaction. Do
LAMMPS have a potential which is integration of LJ potential over the
sphere.
Like the colloid-colloid interaction in pair_style colloid
<https://lammps.sandia.gov/doc/pair_colloid.html>.
I have tried to search for this integrated LJ potential but didnt find it,
if any of you know it would be great and will be thankful.

Thanks

2

Hey all,

I am new to LAMMPS and this is my first post here.

I am trying to do simulation of Particles (sphere) with LJ interaction. Do LAMMPS have a potential which is integration of LJ potential over the sphere.
Like the colloid-colloid interaction in pair_style colloid.
I have tried to search for this integrated LJ potential but didnt find it, if any of you know it would be great and will be thankful.

so what is different from what you are looking from compared to the colloid pair style? from your description, i tseems to be exactly what you are looking for.

axel.

3

Hey Axel,
Thanks for the reply !

In colloid pair style three kind of interaction has been considered -

  1. Colloid-Colloid :- Integrated LJ potential
  2. Colloid-solvent - Integrated LJ potential (with one particle size as Zero)
  3. Solvent-solvent - usual LJ potential

I just want the first interaction Colliod-Colloid for my problem. I am not sure if it possible to use the same potential (colloid_pair) just to solve colloid-colloid interaction.

4

Hey Axel,
Thanks for the reply !

In colloid pair style three kind of interaction has been considered -

  1. Colloid-Colloid :- Integrated LJ potential
  2. Colloid-solvent - Integrated LJ potential (with one particle size as Zero)
  3. Solvent-solvent - usual LJ potential

I just want the first interaction Colliod-Colloid for my problem. I am not sure if it possible to use the same potential (colloid_pair) just to solve colloid-colloid interaction.

but that is just a matter of passing the correct parameters to the pair_coeff command. please read the documentation more carefully. if there are no “solvent” particles present, there cannot be any interactions of that kind. with a generic pair style you can always set things up to have only one specific setting.

axel.