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Re: ForceResetter in python

 

Hi Vaclav

>I was thinking about this many times, and discussed it with Bruno and Chiara. The reason to not do that is that we don't want to do things behind user's back, since he/she is supposed to understand what is going on. (Currently, Cell::integrateAndUpdate is called in such a hidden way.) OTOH your reasoning is valid as well. I prefer to keep it explicit, and I might add a check at the beginning of InteractionLoop, which would say that you might have forgotten to use ForceResetter. Would that be OK?

It is true, that with explicit definition, the Engines structure looks more logical and consistent, and as the use of ForceResetter is well documented (in user's manual for example), the need of my suggestion is only for preventing stupid mistakes..
After your email is my opinion such that leaving the ForceResetter as it is now with possible warning in following engine (which shouldn't be much CPU expensive) is ideal :-)

thanks a lot

Jan



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