[Octopus-devel] cvs commit: marques/octopus/src geometry.F90

[cvsusers at tddft.org]

acastro     2006/03/01 07:27:42 WET

  Modified files:
    octopus/src          geometry.F90 
  Log:
  Bug fixed.
  The total energy of a jellium system was not properly calculated,
  because it did not consider the electrostatic energy of the ionic
  constant background. Now it does, although we still ignore the possible
  interaction energy between two jellium spheres.
  
  Revision  Changes    Path
  1.56      +15 -5     marques/octopus/src/geometry.F90