mapp.md.atoms.ff_eam_setfl

atoms.ff_eam_setfl(setfl_file)

Tabulated EAM force field given by a single SetFL file

Assigns EAM force field to system

Parameters:

setfl_file : string

relative path to DYNAMO file with SetFL format

Returns:

None

Notes

This is tabulated form of Embedded Atom Method (EAM) potential

Examples

Cu

>>> from mapp import md
>>> sim=md.cfg("configs/Cu.cfg")
>>> sim.ff_eam_setfl("potentials/Cu_mishin.eam.alloy")