deepmd.pt.model.model.make_hessian_model

Functions

make_hessian_model(T_Model)

Make a model that can compute Hessian.

Module Contents

deepmd.pt.model.model.make_hessian_model.make_hessian_model(T_Model)

Make a model that can compute Hessian.

LIMITATION: this model is not jitable due to the restrictions of torch jit script.

LIMITATION: only the hessian of forward_common is available.

Parameters:

T_Model

The model. Should provide the forward_common and atomic_output_def methods

Returns:

The model computes hessian.