def get_energy_tersoff(structure, gulp_cmd='gulp'):
    """
    Compute the energy of a structure using Tersoff potential.

    Args:
        structure: pymatgen.core.structure.Structure
        gulp_cmd: GULP command if not in standard place
    """
    gio = GulpIO()
    gc = GulpCaller(gulp_cmd)
    gin = gio.tersoff_input(structure)
    gout = gc.run(gin)
    return gio.get_energy(gout)
def get_energy_tersoff ( structure , gulp_cmd = 'gulp' ) : gio = GulpIO ( ) gc = GulpCaller ( gulp_cmd ) gin = gio . tersoff_input ( structure ) gout = gc . run ( gin ) return gio . get_energy ( gout )
Compute the energy of a structure using Tersoff potential.

    Args:
        structure: pymatgen.core.structure.Structure
        gulp_cmd: GULP command if not in standard place