[Octopus-notify] svn commit: r6398 - trunk/src/states by xavier

[octopus-notify at tddft.org]

      Author: xavier
        Date: Fri Mar 26 18:36:33 2010
New Revision: 6398
   Changeset: http://www.tddft.org/trac/octopus/changeset/6398

Modified:
   trunk/src/states/states.F90
   trunk/src/states/states_calc.F90
   trunk/src/states/states_calc_inc.F90
   trunk/src/states/states_dim.F90

Log:
* Implemented an alternative orthogonalization based on a QR
decomposition perfomed directly by Lapack. This is slower than
Gram-Schmidt, but at least does not require a temporary array of size
nst^2. Unfortunately the routine only works in serial for the moment
and will require scalapack or something equivalent to parallelize it.

* The orthogonalization method is now selected by the variable
StatesOrthogonalization, gram_schmidt is the default.