[lammps-users] XMD to lammps

Hello everyone,

I would like to use the eam for Fe, but the file with the coefficients is in a format readable to XMD. how can I convert it to a lammps-readable format?

Jaime Sanchez

You'll have to read the LAMMPS docs about the format
of the EAM potentials files (pair_style and pair_coeff docs
describe it). And then figure out the same for XMD and do
the conversion. If you or someone writes a tool to do
this, it would be useful to add to LAMMPS, as others use
XMD potentials as well.


Detailed explanation of the EAM potential file format (with relevant
links) can be found here



Jaime Sanchez wrote: