Differences

This shows you the differences between two versions of the page.

 del_parameter [2015/08/14 10:13]johnsoevans del_parameter [2020/07/16 11:29] (current) Both sides previous revision Previous revision 2019/07/26 17:14 johnsoevans 2019/07/26 17:13 johnsoevans 2015/08/14 10:14 johnsoevans 2015/08/14 10:13 johnsoevans 2015/08/14 09:47 johnsoevans 2015/08/14 09:43 johnsoevans 2015/08/14 09:35 johnsoevans 2015/08/14 09:30 johnsoevans created Next revision Previous revision 2019/07/26 17:14 johnsoevans 2019/07/26 17:13 johnsoevans 2015/08/14 10:14 johnsoevans 2015/08/14 10:13 johnsoevans 2015/08/14 09:47 johnsoevans 2015/08/14 09:43 johnsoevans 2015/08/14 09:35 johnsoevans 2015/08/14 09:30 johnsoevans created Line 1: Line 1: - ====== del parameter ====== ====== del parameter ====== ====== del parameter ====== The del parameter is important when searching for a minimum of the penalties as a function of an independent parameter. For example, for each independent parameter ‘x’ the minimum of the penalties P is determined using ‘del’. ‘del’ is set automatically for parameters that Topas knows about (fractional coordinates,​ temperature factors, etc). The del parameter is important when searching for a minimum of the penalties as a function of an independent parameter. For example, for each independent parameter ‘x’ the minimum of the penalties P is determined using ‘del’. ‘del’ is set automatically for parameters that Topas knows about (fractional coordinates,​ temperature factors, etc). Line 18: Line 17: endif endif Loop Loop - + + Some built in values are: + + + + cell parameter ​      %min = Max(1.5, 0.995 Val - .05);  %max = 1.005 Val + .05;         del = 0.0001 Val; + cell angle           %min = Max(1.5, Val - .2);         %max = Val + .2;                del 0.01 + scale                 min 1e-15                                                         del = Abs(Val) 0.003 + 1e-10; + fractional_coordinate min = Val-Constant(1/​Get(a)); ​     max = Val+Constant(1/​Get(a)); ​ del = Constant(.1 / Get(a)); + sh_Cij_prm ​           min = -Abs(Val) 2 - .1;            max =  Abs(Val) 2 + .1;        del = If(Val < 0, -0.01, .01) + .01 Val; + + ​ + ​