The heating-bath mode

This is a primitive attempt to incorporate an automatic procedure for adjusting the temperature of the system. The essence of the method is to periodically adjust the temperature of the system in such a way as to keep the fraction of moves against the gradient constant and equal to a user-defined value. This means that as the system is closing-in towards a minimum of the R-factor (which will lead to a reduction of the moves made against the gradient) the temperature will be increased, and inversely, when the system is thermally disordered and wonders freely across the parameter space, the temperature will be decreased. In this mode the maximum move sizes can either be constant (as for the constant temperature run) with max($\Delta_{{\rm t}}^{}$) = d_min/max(a, b, c) and max($\Delta_{{\kappa}}^{}$) = d_min, or can be made linearly dependent on both time and the current R-factor, with max($\Delta_{{\rm t}}^{}$) = 0.5Rt/t_total and max($\Delta_{{\kappa}}^{}$) = $\pi$Rt/t_total (see keyword CONStant).