DeformGradMixin¶

class torch_sim.state.DeformGradMixin[source]¶

Mixin for states that support deformation gradients.

property momenta: Tensor¶

Calculate momenta from velocities and masses.

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.