Hi Edward. This sounds interesting, and I have no problems that the name should be changed. There is one thing that I was reminded. I also set r20b, to minimum R2eff. That is probably not the best idea? Best Troels 2014-05-27 18:57 GMT+02:00 Edward d'Auvergne <edward@xxxxxxxxxxxxx>:
Hi Troels, This proposal concerns your relax_disp.set_grid_r20_from_min_r2eff user function. I propose to rename it to relax_disp.r20_from_min_r2eff, and to change its documentation. The reason is the extend its reach to: - The chi-squared space mapping via dx.map. - Performing optimisation with no grid search. - As initial parameter values for other dispersion software via some of the relax_disp.*_input user function (this is not implemented yet but could be). In these cases, setting R20 values to the minimum R2eff values might be of great interest to users. There are a number of other situations where the user might wish to do this, and only they might know of that situation. But these uses have nothing at all to do with a grid search. The polish part would be to generalise the documentation for the user function in user_functions.relax_disp. You could mention that it can be used to simplify the grid search, but then also list these other uses. What is your opinion? Regards, Edward