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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