get_pressure

torch_sim.quantities.get_pressure(stress, kinetic_energy, volume, dim=3)

Compute the pressure from the stress tensor.

The stress tensor is defined as 1/volume * dU/de_ij So the pressure is -1/volume * trace(dU/de_ij)

Parameters:

• stress (Tensor)

• kinetic_energy (Tensor)

• volume (Tensor)

• dim (int)

Return type:

Tensor