New Version of Gabedit

Allouche allouche at lasim.univ-lyon1.fr
Mon Apr 29 08:04:46 BST 2002


  New Version of Gabedit is available.

  The new version is capable of displaying :
            -  Molecular Orbitals   :
                load from Molpro output file, Gaussian output file, Gaussian cube file, Molpro cube file,
                Molden file or Gabedit file.
             - The electron density : load from Gaussian cube file, Molpro cube file, or using orbitals load from Gaussian
                output file, Molpro output file, Molden file or Gabedit file.
             - The Laplacian of density : load from Gaussian or Molpro cube file.
             - The elctrostatic potential : load from Gaussian cube file.
             - The Molecular minus Atomic density : using orbitals load from a Gabedit file.
             - The Atomic density : using orbitals load from a Gabedit file.

            It can write a variety of graphics instructions :  postscript, BMP and PPM .

            With This version of Gabedit you can draw/display molecule in 3D.
            You can load(and save) geometry from : Gaussian input file,Molpro Input file,
            Gaussian output file, Molpro output file, XYZ file, Gaussian Z-matrix, Mopac Z-matrix file, Mol2 file or Tinker file.
            You can also visualize the geometry convergence using a Molpro or Gaussian output file.

            Using The new version of gabedit, you can execute Molpro and/or Gaussian at your local machine or at a remote host server.


  You can download Gabedit from http://lasim.univ-lyon1.fr/allouche/gabedit



--
===============================================================================
  Allouche Abdul-Rahman                Tel: 0472431929
  Universite Claude Bernard, Lyon 1    Fax: 0472445871
  LASIM batiment Alfred Kastler        http://hplasim2.univ-lyon1.fr/allouche
  UFR Physique
  43 Bld du 11 novembre 1918
  69622 Villeurbanne Cedex
  FRANCE
===============================================================================


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