mapp.dmd.atoms.ff_eam_funcfl

atoms.ff_eam_funcfl(funcfl_files, r_crd, C, 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

r_crd : double[nelems]

cutoff radius for mass exchange

C : double[nelems]

dimensionless factor for each element, see here

elems : string[nelems]

mapping elements

Returns:

None

Notes

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

Examples

Ni

>>> from mapp import dmd
>>> sim=dmd.cfg(5,"configs/Ni-DMD.cfg")
>>> sim.ff_eam_funcfl("potentials/niu3.eam")