DeformGradMixin¶

class torch_sim.state.DeformGradMixin(*, reference_cell)[source]¶

Bases: object

Mixin for states that support deformation gradients.

Parameters:: reference_cell (Tensor)

property reference_row_vector_cell: Tensor¶: Get the original unit cell in terms of row vectors.

deform_grad()[source]¶

Calculate the deformation gradient from original cell to current cell.

Returns:: The deformation gradient
Return type:: Tensor