[Octopus-notify] svn commit: r5572 - in trunk/src: ions math opt_control scf states by xavier

octopus-notify at tddft.org octopus-notify at tddft.org
Fri Jun 5 23:55:08 WEST 2009


      Author: xavier
        Date: Fri Jun  5 23:55:07 2009
New Revision: 5572
   Changeset: http://www.tddft.org/trac/octopus/changeset/5572

Modified:
   trunk/src/ions/vibrations.F90
   trunk/src/ions/xyz_adjust.F90
   trunk/src/main/casida.F90
   trunk/src/math/lalg_adv.F90
   trunk/src/math/lalg_adv_lapack.F90
   trunk/src/math/lapack.F90
   trunk/src/math/math.F90
   trunk/src/opt_control/parameters_trans.F90
   trunk/src/scf/eigen_evolution_inc.F90
   trunk/src/scf/eigen_lobpcg_inc.F90
   trunk/src/scf/eigen_plan_inc.F90
   trunk/src/scf/subspace_inc.F90
   trunk/src/states/modelmb_density_matrix.F90
   trunk/src/states/modelmb_density_matrix_inc.F90

Log:
The lalg_eigensolve routine now works in place. (The reason for this
changes is that arrays of size st%nst**2 can be too large, so we
should avoid unnecessary copies).




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