[Ifeffit] Hard restraints?

[Norbert Weiher]

Hi Bruce,

first of all a welcome back from the UK. Good to see your messages popping up 
in the mailing list again. Hope you are relaxed enough to get back to 
business... 

I am glad to hear that implementing a "bound" function in ARTEMIS is not 
difficult to handle. I agree with your point that the function need not be 
implemented in the IFEFFIT library itself. It is after all just an interface 
which produces the functions that Matt described earlier. 

Another subject: Did you consider implementing the "load GDS sheet" and "save 
GDS sheet" options we discussed earlier? This would be great for text editor 
freaks (like me, I confess...), as you can write your variable definitions 
external and crank them back into ARTEMIS to do the fitting business for you. 

Norbert

-- 
Dr. rer. nat. Norbert Weiher (norbert.weiher at manchester.ac.uk)
School of Chemical Engineering and Analytical Science
Sackville Street, Manchester, M60 1QD - Phone: +44 161 306 4468