[lammps-users] Units conversion problem

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1

Dear All

I’m wirting a new pairwise potential. But I don’t know how to deal with the units conversion in Lammps. Anyone who can give me some advice will be appreciated!

Zhang

2

Dear All

       I'm wirting a new pairwise potential\. But I don't know how to

deal with the units conversion in Lammps. Anyone who can give me some advice
will be appreciated!

you don't have to deal with that. check the existing potentials.
there are several constants that are used throughout the code
that are adjusted properly depending on the choice of units.

have a look at the first block in the force class definition in force.h

cheers,
   axel.

cheers,
     axel.

3

Your questions isn't specific. If you write your pair style like
every other pair style in LAMMPS, then it will work with any units
that LAMMPS defines. I would see how a similar potential insures
that's the case, and follow that pattern.

Steve