pyiron_atomistics.thermodynamics.interfacemethod.freeze_one_half

pyiron_atomistics.thermodynamics.interfacemethod.freeze_one_half(basis)

Split the structure into two parts along the z-axis and then freeze the position of the atoms of the upper part (z>0.5) by setting selective dynamics to False.

Parameters:

basis (pyiron_atomistics.structure.atoms.Atoms) – Atomistic structure object

Returns:

Atomistic structure object with half of the atoms fixed

Return type:

pyiron_atomistics.structure.atoms.Atoms