Averaging

technical aspects of .dri file generation (e.g. debug mode ) etc...
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nokkikku
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Averaging

Post by nokkikku » Wed Jun 29, 2011 11:21 am

Hi there,

I just wonder why in some versions, we are ased 'averaging or no averaging' but not at all in some versions.


Thanks

Bernd
Posts: 1505
Joined: Mon Jun 23, 2008 9:29 pm

Re: Averaging

Post by Bernd » Wed Jun 29, 2011 3:54 pm

Dear nokkikku,

the global keyword "averaging / no_averaging" (Flags and Settings) was removed since version 5.504 because it had lost its function.
"averaging" specifies that averaging of the driving force across the interface should be performed in case of concentration coupling. But there is another switch which allows specifying an averaging of the driving force: In the dG options (phase interaction data), averaging "avg" can be specified (1.0: maximum averaging, 0.0: no averaging) as optional parameter. Thus, the global "averaging" flag was just no longer needed!

Bernd

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