[CP2K:889] Re: units update?

Teodoro Laino teodor... at gmail.com
Wed Mar 26 21:19:32 UTC 2008


Hi Axel,

Of course they are used for reading the input and perform the unit  
conversions.
I wouldn't bother too much about back-compatibility..
Let's change everything to CODATA2006 and that's it. How much these  
10 units
  change compared to the old data set of  cp2k?

Teo

On 26 Mar 2008, at 22:15, Axel wrote:

> good point. one problem. init_physcon is called way before
> the input file is read. i have not been able to find out yet
> whether those factors are used in reading the input. if yes,
> it would result in inconsistent behavior. it may be safer to
> use a command line flag, which is processed before reading input
> and then just re-initialize the values. any suggestions, comments?

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