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I know how to create cube, cylinder and sphere shapes in Lammps, but I don't know how to create an icosahedral cluster in Lammps. Does anybody know about it?

Toto
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Malihe Razavi
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  • Please show previous work before posting this kind of question. (Like show how you think the 20-cluster can be created) – Jerrybibo Apr 22 '16 at 14:45
  • in some simulations,matlab code was used to create 20-cluster.but i want to know how to create it with lammps – Malihe Razavi Apr 22 '16 at 14:48

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I think you have to search the Lammps molecular topology.

https://docs.lammps.org/molecule.html

I would make custom groups of atoms/molecules with different bonds, angles... In order to aproximate the cosahedral cluster.

Here is a piece of the molecule documentation:

N atoms = # of atoms N in molecule, default = 0

Nb bonds = # of bonds Nb in molecule, default = 0

Na angles = # of angles Na in molecule, default = 0

Nd dihedrals = # of dihedrals Nd in molecule, default = 0

Ni impropers = # of impropers Ni in molecule, default = 0

Nf fragments = # of fragments in molecule, default = 0

Mtotal mass = total mass of molecule

Xc Yc Zc com = coordinates of center-of-mass of molecule

Ixx Iyy Izz Ixy Ixz Iyz inertia = 6 components of inertia tensor of molecule

I hope my info help you. I'm new at Lammps as well.

Enrique Casanova
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