[Octopus-devel] cvs commit: marques/octopus/src poisson.F90 poisson3D.F90 poisson_cg.F90

[cvsusers at tddft.org]

acastro     2005/01/20 18:07:41 WET

  Modified files:
    octopus/src          poisson.F90 poisson3D.F90 poisson_cg.F90 
  Log:
  Major modifications in the new (and incidentally, also in the old one)
  CG Poisson solver to make it *much* faster. The cost is the use of more
  memory, and some overhead in the initialization part. However, I think
  it is necessary if we want to run octopus with CG at realistic speed.
  Moreover, now two more variables may be set:
  PoissonSolverCGMaxMultipole (default = 4), which is the maximum order
     of the multipole correction for the new method, and of the multipoles
     to consider to build the multipole expansion for the old method;
  PoissonSolverCGThreshold (default = 1.0e-5), which is the criterion to
     stop the CG procedure.
  Until we are not done modifying the Poisson solver, I will not update
  the manual.
  
  Revision  Changes    Path
  1.19      +2 -0      marques/octopus/src/poisson.F90
  1.22      +9 -2      marques/octopus/src/poisson3D.F90
  1.5       +115 -29   marques/octopus/src/poisson_cg.F90