[Octopus-notify] svn commit: r2841 - in trunk: src by acastro

octopus-notify at tddft.org octopus-notify at tddft.org
Tue Apr 17 16:35:35 WEST 2007


      Author: acastro
        Date: Tue Apr 17 16:35:32 2007
New Revision: 2841
   Changeset: http://www.tddft.org/trac/octopus/changeset/2841

Modified:
   trunk/liboct/oct_gsl_f.c
   trunk/src/geom_opt.F90
   trunk/src/liboct.F90

Log:
Added the other minimization methods allowed by the gsl library.
The code is still ugly but it works; I will try to clean up later.

I hope that with the help of the new method to calculate forces,
and the improvement of the double grid technique, we will finally be
able to do reasonably geometry optimization with octopus.




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