Home‎ > ‎Gabedit‎ > ‎

Download

User Registration


PLEASE register as a Gabedit User.
This will help to keep up the support for Gabedit.
There is no commitment involved whatsoever.

Citaion

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) 174–182doi: 10.1002/jcc.21600

Download citation : BibTex or RIS 

Download the stable version

The current stable version of gabedit is 2.4.8

(update :  February 07, 2014)


The source files for all systems(tar.gz file) : Download
(To compile Gabedit under Mac OS X see here)

The binary file for Linux i386 glibc 2.3 : Download

The Gabedit installer for Linux, including Gtk library : Download

The Gabedit installer for Linux 64 bits : Download

The Gabedit installer for Windows  (OpenGL) : Download

The Gabedit installer for Windows  (Cairo) : Download


Here is a list of the significant changes between 2.4.8 and 2.4.0: 
  • Minor bugs fixed.
  • Bug fixed for reading basis with d,f,.. orbitals from a  fchk file. Only fchk file is concerned by this bug (There was no bug for reading  from a .log file)
  • Gabedit can now calculate the lambda diagnostic for CT (see Peach et al. J. Chem. Phys. 128, 044118 (2008))
  • Gabedit can now symmetrize a molecule
  • New parsers to read :
    UV-Visible spectrum from a Gamess unrestricted TDDFT calculation
     Raman spectrum from a QChem output file
    Anharmonic IR spectrum(VT2) from a Gaussian (D01) output file
    Anharmonic IR spectrum(VSCF, VSCF-PT2) from a Gamess output file
  • Gabedit can now read orbitals from GENNBO files
  • Several filters (Gaussian, Blackman, Blackman-Harris,...) implemented in the GabexitXYPlot window
  •  Psi4 is partially supported : input file, geometries, frequencies, UV Spectrum
  • NCI (non-covalent interactions index) analysis implemented (see Johnson et al., J. Am. Chem. Soc. 132, 6498 (2010))
  • Analysis of Spatial Extent in Charge-Transfer Excitations implemented (See Le Bahers et al., J. Chem. Theory Comput. 2011, 7, 2498–2506)


Download the devloppment version


The current devloppment version of gabedit is 2.4.10

(update :  March 31, 2017)


The source files for all systems(tar.gz file) : Download
(To compile Gabedit under Mac OS X see here)


The Gabedit installer for Linux 64 bits : Download

The Gabedit installer for Windows  (OpenGL) : Download




Here is a list of the significant changes between 2.4.10 and 2.4.8: 
  • Minor bugs fixed.
  • New tools for VASP :
    * read geometries (Optimization or M. Dynamic) from VASP OUTCAR file
    * read geometry from VASP POSCAR file.
    * Create VASP POSCAR file.
    * Read dielectric function from a VASP xml file and compute optic properties : the refractive index n(w), the extinction
    coefficient k(w), the absorption coefficient alpha(w), the reflectivity  R(w), the energy loss spectrum L(w), and the optical conductivity sigma(w).
    * read data from vasprun.xml and plot DOS, pDOS and, Bands structures
  • Gabedit can now read the hessian from .hess orca file. After reading of the hessian, Gabedit compute frequencies, modes and effective masses.
  • Export in CChemI : update
  • Tv accepted (used by Gaussian and Mopac for periodic system). Using Tv, Gabedit can generate other cells
  • deMon2k is now supported (Thanks to Dennis Salahub, Mauricio Chagas da Silva, Jonathan Kung and Morteza Chehelamirani for their suggestions,  corrections,  comments,...)
  • Gabedit can now compute the anharmonic spectrum by QM/MMFF94 method using iGVPT2 program. Gabedit can read the harmonic and anharmonic spectra from an iGVPT2 output file.
  • Energy, geometry optimization, MD, MD Conformations search by MMFF94, MMFF94s, UFF and Ghemical potentials are now supported by Gabedit via Open Babel. For more information, see here.
  • Energy, geometry optimization, MD, MD Conformations search using your own program (potential) are now supported. DFTB+ is supported via this new tool. For more information, see here.

 
ċ
Gabedit64_030417.tar.gz
(2712k)
abdulrahman allouche,
Apr 3, 2017, 7:59 AM
ċ
Gabedit64_300317.tar.gz
(2712k)
abdulrahman allouche,
Mar 30, 2017, 5:31 AM
ċ
GabeditSrc2410_030417.tar.gz
(4141k)
abdulrahman allouche,
Apr 3, 2017, 7:58 AM
ċ
GabeditSrc2410_300317.tar.gz
(4141k)
abdulrahman allouche,
Mar 30, 2017, 5:31 AM
ċ
setupGabedit2410.zip
(6697k)
abdulrahman allouche,
Mar 30, 2017, 10:41 PM