[CP2K:816] Re: applicability of TEMP_TOL to thermostat regions...

[Teodoro Laino]

On 13 Mar 2008, at 20:28, Axel wrote:

> it is hard to let go of something that has been
> around for a very long time. after having slept over
> the choices, i'd rather go with a change in the documentation,
> i.e. keep TEMP_TOL 'as is' and add two remarks stating that this
> is global only and that regional recaling should use CSVR with
> short tau instead.

Where does evolution and innovation fits in your remark?
I honestly don't agree with your point.. habits can be (and must be)  
changed and adapted to
something different (possibly better).
Due to the continuous computational challenges and growth in  
algorithmic developments, all codes have necessarily
to evolve into a direction where the organization of the code itself  
has to be revisited, restructured and improved (even when a structure  
was planned since the very beginning).
The price for not doing that is just an incredible amount of time  
lost in code-maintenance and an incredible increase of the  
difficulties in expanding the code capabilities.

You touched the real problem. People fight because you move/delete/ 
reorganize keywords.. they just see that this creates them the waste  
of (maybe) 5 minutes in order to update their mental scheme. They  
don't see the necessity of these reorganization, They don't see the  
time you spent
when you've to modify the code. They want just to find the same  
keywords (used maybe the last time in the 80s) at the same place.

I wonder: for someone that consider him/herself a scientist shouldn't  
a flexible mind be the key to do research?

The controversial is purely philosophical (don't take me too  
serious). Of course you can change the documentation (I won't do  
that ;-) ).

Teo

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