News
WinGAMESS with VB2000 2.0 add-on released (Jan. 20, 2008). This version was compiled on Windows Vista.
VB2000 in WinGAMESS has some extended functionalities. You can run both GAMESS and VB2000 jobs
from WinVB2000 graphic interface by drag-n-drop input files into the WinVB2000
framework and push the run button.
We have identified a few issues to run VB2000 jobs in WinGAMESS on Windows XP. A simple solution is to download the three files
file 1,
file 2 and
file 3
and save them to C:\WinGAMESS directory. You need the access code for downloading these files. You should get the access code when you apply the VB2000 license. Please contact vb@scinetec.com for licensing. It is also assumed that you already have the GAMESS license.
WinVB2000 2.0 released (November 21, 2007). This Windows version is based on
VB2000 2.0, which has the following major enhancements:
- Implemented localization enhanced VB orbital optimization.
- Added strict localization of VB orbital optimization.
- Added interface for VB-solvation calculation based on
Minnesota package (GAMESSPLUS).
- Enhanced WinV2000 user interface for taking GAMESS inputs as well as VB2000 inputs.
See WinVB2000 GUI.
To make GAMESS inputs to work, WinGAMESS needs to be installed with default configuration.
VB2000 Version 1.8(R3) released (May 31, 2007). This version is updated and compatable with the current version of GAMESS (March 2007).
VB2000 Version 1.8(R2) released (July 25, 2006). This version has the following major improvements.
- Added spin-density calculation for VB wave function.
- Added DIIS convergence control for VBSCF.
- Enhanced multiple-VB structure calculations with dynamic VB orbitals.
- Extensively revised and updated the VB2000 user manual.
- Fixed VB(1) and one-atom VB bugs.
VB2000 Version 1.8(R1) released (Nov. 3, 2005).
See what is new in this revision.
VB2000 Version 1.8 released (July 24, 2005). This version has the following
enhancements:
Also see the screen shots of VB2000 1.8 GUI and VB orbitals
- Integrated VB2000 into two major quantum
chemistry programs, GAMESS(US) and Gaussian98/03 so that some of the
functionalities of GAMESS and Gaussian can be used for VB wave
function. Please note that you need the VB2000 package to upgrade GAMESS
version July 5, 2005 (or later versions) or Gaussian 98/03.
- Introduced Valence Bond Orbital (VBO) Library
files for construction of initial VB orbitals.
- Added graphic utilities for VB orbital
visualization.
- Added maximum localization of VBOs of CASVB wave
functions.
- Many technical enhancements: dynamic memory
allocation, improved efficiency, enhanced the portability on many more
platforms, added many more built-in basis sets.
- Improved the graphic user interface of VB2000.NET
for WinVB2000, the Windows version of VB2000 version 1.8.
- Added structure weight analysis of Hiberty method.