mapp.md.atoms.ff_eam_funcfl

atoms.ff_eam_funcfl(funcfl_files, elems=None)

Tabulated EAM force field given by FuncFL file/s

Assigns EAM force field to system

Parameters:

funcfl_files : string[nelems]

list of relative paths to DYNAMO files with FuncFL format

elems : string[nelems]

mapping elements

Returns:

None

Notes

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

Examples

Ni

>>> from mapp import md
>>> sim=md.cfg("configs/Ni.cfg")
>>> sim.ff_eam_funcfl("potentials/Ni_u3.eam")