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

[cvsusers at tddft.org]

acastro     2005/11/14 11:10:01 WET

  Modified files:
    octopus/src          geometry.F90 scf.F90 
  Log:
  I did not know that geometry_min_distance existed. It can be used
  in geometry_atoms_are_too_close, of course.
  
  Also, I made sure that a meaningful default lmm_r is set in scf when
  there is only one atom. It was wrong before due to the huge value
  returned by geometry_min_distance. This way the 06-Spinors bug file
  can also go away.
  
  Revision  Changes    Path
  1.49      +4 -15     marques/octopus/src/geometry.F90
  1.120     +2 -1      marques/octopus/src/scf.F90