jaxrts.models.AverageAtom_Sii.tmult

AverageAtom_Sii.tmult: list[float]

List of temperature multipliers used in auxiliary HNC calculations. HNC can be sensitive to initial guesses, and the algorithm often converges more reliably at higher temperatures. The multipliers allow the calculation to be run first at scaled (higher) temperatures, using those results as initial guesses for subsequent runs. The final multiplier of 1.0 should be omitted. See also jaxrts.hypernetted_chain.pair_distribution_function_HNC().