[lammps-users] XMD to lammps

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1

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?

Thanks
Jaime Sanchez

2

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.

Steve

3

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

http://web.ics.purdue.edu/~asubrama/pages/EAM_Potential_format.htm

Arun

Jaime Sanchez wrote: