[Octopus-devel] cvs commit: marques/octopus/src out.F90 out_inc.F90 profiling.F90 scf.F90 states.F90 states_inc.F90 td_write.F90

[cvsusers at tddft.org]

appel       2006/03/12 17:30:19 WET

  Modified files:
    octopus/src          out.F90 out_inc.F90 profiling.F90 scf.F90 
                         states.F90 states_inc.F90 td_write.F90 
  Log:
   Octopus can now output the paramagnetic current density (I was surprised
   that this was not there before). Similar to density or ELF, one has to
   specify Output = current + ... in the input file. By chance, this could
   be interesting for a transport calculation ... :)
  
   By writing OutputHow = boundary_points + ... it is now also possible to
   include the boundary points in the output (I found this useful for
   debugging, since I'm dealing with the boundary conditions for transport
   calculations at the moment).
  
   Finally, with OutputHow = meshgrid + matlab + plane_z + ... it is possible
   to output the octopus mesh in Matlab meshgrid format, i.e. for the specified
   plane something like
  
    >> [x,y] = meshgrid(-2:.2:2,-1:.15:1)
  
   in Matlab language.
  
  Revision  Changes    Path
  1.55      +56 -41    marques/octopus/src/out.F90
  1.81      +64 -37    marques/octopus/src/out_inc.F90
  1.16      +49 -45    marques/octopus/src/profiling.F90
  1.131     +3 -3      marques/octopus/src/scf.F90
  1.154     +11 -12    marques/octopus/src/states.F90
  1.123     +19 -7     marques/octopus/src/states_inc.F90
  1.97      +2 -2      marques/octopus/src/td_write.F90