Supported Force Fields

MD

mapp4py.md.atoms.ff_lj(…)

Lennard-Jones potential

mapp4py.md.atoms.ff_fs(…)

Finnis-Sinclair EAM

mapp4py.md.atoms.ff_eam_funcfl(…)

Tabulated EAM force field given by FuncFL file/s

mapp4py.md.atoms.ff_eam_setfl(setfl_file)

Tabulated EAM force field given by a single SetFL file

mapp4py.md.atoms.ff_eam_fs(fs_file)

Tabulated Finnis-Sinclair EAM

DMD

mapp4py.dmd.atoms.ff_eam_funcfl(…)

Tabulated EAM force field given by FuncFL file/s

mapp4py.dmd.atoms.ff_eam_setfl(…)

Tabulated EAM force field given by a single SetFL file

mapp4py.dmd.atoms.ff_eam_fs(…)

Tabulated Finnis-Sinclair EAM