Dimmer

LAMMPS LAMMPS General Discussion
1

Hello sir,
I want to implement Dumbbells(dimmer) in lammps, any one can guide me which commands could be used to implement a diaatomic molecule(dumbbells).
Thanks

2

Isn’t a dumbbells just two atoms connected by a bond?

If so, you can refer to any LAMMPS example involving molecules. There are plenty of people simulating diatomic molecules like N2, I would start from their inputs files and adapt it to your system.

Simon

3

Thanks Sir… yes sir ,just two atoms connected aby a bond.
like in this article Phys. Rev. E 90
123.pdf (2.4 MB)
, 052130
i want to convert 2000 particles into 1000 dumbbells.

4

The simplest would be to create one single molecule template, and then replicate it 1000 times using create_atoms.

5

Thank you sir