[CP2K-user] [CP2K:14053] Re: How get squared MO-cubes?

[Lucas Lodeiro]

Thanks Travis, I did not think it was too simple.

Regards

El mié., 14 oct. 2020 a las 19:37, Travis (<polla... at gmail.com>) escribió:

> Hi,
>
> Modify the subtraction routine in cubecruncher to * instead of -.
> Recompile.
>
> cube1%grid=cube1%grid-cube2%grid
>
> to
>
> cube1%grid=cube1%grid*cube2%grid
>
>  -T
>
> On Wednesday, October 14, 2020 at 3:32:02 PM UTC-4 Lucas Lodeiro wrote:
>
>> Hi all,
>>
>> I compile cubecruncher, but I cannot find the way to get the density
>> probability of MO-cube... cubecrunches enables to subtract or multiply by a
>> given factor the different cubes... but not multiply a cube by itself.
>> I need to obtain MO-density profiles, but only I can get is the
>> MO-amplitude probability profile.
>> There is a simple way to obtain this?
>>
>> Regards
>>
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