[Ifeffit] feff6L and path finder limit

Stefano Ciurli stefano.ciurli at unibo.it
Thu Aug 11 01:21:02 CDT 2005


Hi Scott,

>The stars are "commented out" lines to make it easy for the user to change
>options without remembering the exact code word.

that's what I though, but did not dare to change :-)

>Since we are specifying a value for NLEG other than the default, there is
>no need to have the starred line with NLEG 8 on it. It won't actually hurt
>since it's treated as a comment, but could confuse users. I recommend
>removing it.

OK
Thanks, now reading your comment of the other day I better understand 
the issue.

Stefano
-- 
____________________________________________

Stefano Ciurli
Professor of Chemistry
Laboratory of Bioinorganic Chemistry
Department of Agro-Environmental Science and Technology
University of Bologna
Viale Giuseppe Fanin, 40
I-40127 Bologna
Italy
Phone:	+39-051-209-6204
Fax:	+39-051-209-6203

"Fatti non foste a viver come bruti,
ma per seguir virtute e canoscenza"
Dante Alighieri - Inferno - Canto XXVI

"Ihr seid bestimmt, nicht Tieren gleich zu leben,
Nein, Tugend zu erringen und Erkenntnis"
"Ye were not form'd to live the life of brutes,
But virtue to pursue and knowledge high"



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