john201004
If we want to extract all the refined/not-refined parameters we can use
out result_output.txt
Out_String("R_{wp} ")
Out(Get (r_wp), " %11.5f"\n)
Out_String("r_{exp} ")
Out(Get (r_exp), " %11.5f"\n)
Out_String("gof ")
Out(Get (gof), " %11.5f"\n)
Out_String("a [Å] (\phase1)")
Out(phase1_a , " %11.5f"\n)
Out_String("c [Å] (\phase2)")
Out(phase2_c, " %11.5f"\n)
...
such code to extract all off them, but for this we have to list out all the parameters. This method is OK as long as there are few things to extract, but if there are several phases with a lot of parameters than this become bit cumbersome.
Is there any internal/external macro which is similar to "out_prm_vals_on_convergence $file", but can extract every refined and not-refined parameters to a file?
Sincerely