Code review comment for lp:~albertog/siesta/merge-OSSO

Revision history for this message
Alberto Garcia (albertog) wrote :

> Hi Alberto, all,
>
> Just finished some FePt and Pt2 tests (not Z-matrix) and it seems that for
> trunk-688--merge-OSSO-698 every test gives right results! I mean, anisotropy
> energies, MMs, forces and rotational tests are ok. Maybe Roberto wants to
> perform an additional test.

So you find no changes stemming from the fixing of the wrong-highest-l pseudo SO contribution?

>
> The code does not finish properly. Just stops after write "Target enthalpy
> (eV/cell)" or Mulliken pop which I guess that will be fixed in the final
> merge...

We need to look at this. Please provide fdf file and psf's.

>

« Back to merge proposal