matscipy.deformation
Tools related to homogeneously deformed volumes.
Functions
Returns the distance a volume has moved during simple shear. |
Classes
Remove a homogeneous cell deformation given an (iterable) trajectory object. |
- matscipy.deformation.get_shear_distance(a)
Returns the distance a volume has moved during simple shear. Considers either Lees-Edwards boundary conditions or sheared cells.
- class matscipy.deformation.RemoveSimpleShearDeformation(traj)
Bases:
objectRemove a homogeneous cell deformation given an (iterable) trajectory object. This will take proper care of cells that are instantaneously flipped from +0.5 strain to -0.5 strain during simple shear, as e.g. generated by LAMMPS.
- __init__(traj)