[Octopus-devel] [Octopus-notify] svn commit: r3938 - trunk/src/h_sys by xavier

[Xavier Andrade]

Hi Florian,

Are you using HGH with spinors/spin orbit? I assumed that nobody will want 
HGH without this, in this case you have to copy a lot of coefficients (24) 
per projector that can be reduced considerably (to 3 coefficients IIRC) 
for real wavefunctions. I will try to modify it so for real wavefunctions 
less copies are made.

Cheers,

Xavier


On Tue, 25 Mar 2008, Florian Lorenzen wrote:

> Hi Xavier,
>
> I was using HGH pseudo-potentials, so this change is unlikely to fix
> this.
>
> Cheers,
>
> Florian
>
> At Mon, 24 Mar 2008 22:26:36 GMT,
> octopus-notify at tddft.org wrote:
>>
>>       Author: xavier
>>         Date: Mon Mar 24 22:26:23 2008
>> New Revision: 3938
>>    Changeset: http://www.tddft.org/trac/octopus/changeset/3938
>>
>> Modified:
>>    trunk/src/h_sys/kb_projector_inc.F90
>>    trunk/src/h_sys/projector.F90
>>    trunk/src/h_sys/projector_inc.F90
>>
>> Log:
>> For KB projectors for reduction n_c was assumed to be 2, now the
>> actual value is used. Maybe this caused the problem with performance
>> that Florian reported.
>>
>>
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>