mapp.md.atoms.ff_eam_fs

atoms.ff_eam_fs(fs_file)

Tabulated Finnis-Sinclair EAM

Assigns Finnis-Sinclair EAM force field to system. For explanation of the parameter see the Notes section.

Parameters:

fs_file : string

relative path to DYNAMO file with fs format

Returns:

None

Notes

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

Examples

Iron Hydrogrn mixture

>>> from mapp import md
>>> sim=md.cfg("configs/FeH.cfg")
>>> sim.ff_eam_fs("potentials/FeH.eam.fs")