apply_strain_to_structure#
- atomate2.common.jobs.eos.apply_strain_to_structure(structure, deformations)[source]#
Apply strain(s) to input structure and return transformation(s) as list.
- Parameters:
structure (.Structure) – Input structure to apply strain to
deformations (list[.Deformation]) – A list of deformations to apply independently to the input structure, in anticipation of performing an EOS fit. Deformations should be of the form of a 3x3 matrix, e.g., [[1.2, 0., 0.], [0., 1.2, 0.], [0., 0., 1.2]] or ((1.2, 0., 0.), (0., 1.2, 0.), (0., 0., 1.2))
- Returns:
A list of .TransformedStructure objects corresponding to the list of input deformations.
- Return type: