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Citation

Please use the following citations in any report or publication :

Gabedit—A graphical user interface for computational chemistry softwares.

Allouche, A.-R. ,

Journal of Computational Chemistry, 32 (2011) 174–182. doi: 10.1002/jcc.21600

The current stable version of gabedit is 2.5.1

(update : July 27, 2021)

The source files for all systems(tar.gz file) : Download

(To Install Gabedit under Mac OS X see here)

Linux 64 binary files (OpenGL & Cairo ) : Download

The Gabedit installer for Windows (OpenGL & Cairo) : Download

Here is a list of the significant changes between 2.5.1 and 2.5.0:

  • Minor bugs fixed.

  • New tool to compute the thermochemistry properties : Display window/Animation/Vibration

      • Global and local reactivity indices can be calculated by Finite Difference or Frontier Molecular Orbitals : Display window/Reactvity Indices.

  • 2018 Windows version of Gamess supported (Install Gamess in C:\Users\Public\gamess-64 and copy or rename gamess.2018-R1-pgi.exe in gamess.11-64.exe )

  • Several new crystallography tools have been implemented. Gabedit can now :

    • Read CIF file.

    • Build SuperCell.

    • Build Slab.

    • Build Cluster using Wulff construction.

    • Export structure in CIF file (with or without symmetry operators).

    • Reduce Cell to primitive, Niggli or Delaunay one.

    • Compute space group & symmetry operators.

    • Standardize cell (to conventional or to primitive).

    • Generate k-points along high symmetry lines, for band structure calculations.

    • Get a prototype crystal from a database implemented in Gabedit.

    • They are available by selecting "Crystallography" from "Draw window" menu. The list of references used to implement these tools can be obtained from: Draw window/Crystallography/Help& references.

  • Gabedit can now compute local vibrationnal modes. The implemented method is that described in Christoph R. Jacob & Markus Riher , J. Chem Phys. 130 (2009) 084106 and Xiaolu Cheng, Justin J. Talbot, and in Ryan P. Steele, J. Chem. Phys. 145 (2016) 124112

See ChangeLog file to obtain all recent and old changes in Gabedit.

The current development version of Gabedit is 2.5.2

(update : September 8, 2022)

The source files for all systems(tar.gz file) : Download

(To Install Gabedit under Mac OS X see here)

Linux 64 binary files (OpenGL ) : Download

Windows (OpenGL ) : Download


Here is a list of the significant changes between 2.5.2 and 2.5.1:

  • Minor bugs fixed.

  • Under windows, by default, Gabedit considers that Gaussian16 is installed in C:\G16W. You can change that from main menu, "Settings".

  • XTB is now supported. You can download XTB from : https://github.com/grimme-lab/xtb/releases/tag/v6.5.1

  • CIF : _space_group_symop_operation_xyz is now supported.

  • Gaussian output file with different basis set for one type of atom is now supported.

See ChangeLog file to obtain all recent and old changes in Gabedit.