momentum_step

torch_sim.integrators.md.momentum_step(state, dt)

Update particle momenta using current forces.

This function performs the momentum update step of velocity Verlet integration by applying forces over the timestep dt. It implements the equation: p(t+dt) = p(t) + F(t) * dt

Parameters:

• state (MDState) – Current system state containing forces and momenta

• dt (torch.Tensor) – Integration timestep, either scalar or with shape [n_systems]

Returns:

Updated state with new momenta after force application

Return type:

MDState