how to use generated potential in LAMMPS

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1

Hi, Lammps users!

I have a questions about using a potential in LAMMPS.

In lammps, I can select potential types in Pair_Style command.

But If I hope to use the potential that is not defined in lammps, how can I use(generate) this?
I mean, how can I use ‘generated potentials’ in lammps?

I have Energy equations and potential parameters.

Thanks,

Sungeun

2

Looks like you have two options here, for an arbitrary potential:

  • right a suitable pair_style
  • tabulate your potential, using pair_style table

Arthur

3

And by writing*, I mean defining a new pair-style class. You should probably read these:

http://lammps.sandia.gov/doc/Section_modify.html#mod-10
https://sites.google.com/site/scienceuprising/code-packages/lammps/a-dissection-of-lammps-classes#TOC-Pair-Classes