[Octopus-devel] [Octopus-notify] svn commit: r5223 - in trunk/src: hamiltonian opt_control by acastro
xavier at tddft.org
Wed Apr 15 06:16:29 WEST 2009
Can we then remove the support for sparskit?
On Wed, 15 Apr 2009, octopus-notify at tddft.org wrote:
> Author: acastro
> Date: Wed Apr 15 00:36:00 2009
> New Revision: 5223
> Changeset: http://www.tddft.org/trac/octopus/changeset/5223
> QOCT with time-dependent targets was not working, since I don't know
> when. I have put it back to work (I think), although some more testing
> is needed.
> In order to make it work, I added the option of using Crank-Nicholson
> as time propagator, without using the SPARSKIT package to solve the
> linear system -- instead I use the QMR solver. The reason is (1) that
> I was finding this latter option very slow, and (2) it would be nice
> to have Crank-Nicholson without depending on SPARSKIT anyway.
> For open-boundaries calculations (transport), the Crank-Nicholson with
> the QMR solver is used also. It would be nice to unify the two procedures.
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