lambda_tau

This keyword sets the weight of spin-torque RMSE in the loss:

lambda_tau <weight>

The weight must be non-negative and defaults to 0. For each labeled active atom, the predicted and target quantities are converted to

\[\boldsymbol{\tau}_i = \boldsymbol{s}_i\times\boldsymbol{M}_i.\]

The resulting torque RMSE emphasizes magnetic-force components perpendicular to the current spin. Only frames containing mforce:R:3 and atom types enabled by spin_type contribute.

The Cartesian loss lambda_m constrains all magnetic-force components, whereas torque is insensitive to the parallel component. Set lambda_m 0 and a positive lambda_tau to supervise spin rotation without constraining the longitudinal magnetic force. Torque RMSE includes only labeled active spins with \(|\boldsymbol{s}_i|^2 > 10^{-20}\,\mu_\mathrm{B}^2\) and is normalized by two degrees of freedom per included spin. The squared magnitude is evaluated in double precision for both the error and its count; spins at or below the threshold are excluded from both. Squared torque errors weight squared transverse magnetic-force errors by \(|\boldsymbol{s}_i|^2\).