News
WinVB2000 2.5 released (December 23, 2010).
VB2000 2.5 released (November 5, 2010). VB2000 2.5 has the following major enhancements:
- 64 bit Linux system support. This allows access to much large memory.
- Extension for Spin-Couple method. A new method SC(m,n) is added, where m is the number of electrons, and n is the number of orbitals. In the new definition, SC(m,n) specifies all spin-coupled states of all electron configurations of m electrons in n orbitals. The configurations are defined as that have the maximum number of occupied orbitals. When m=n, SC(m,n) becomes the original SC method.
- Localization enhanced non-orthogonal Hartree-Fock orbital calculations. Overlap penalty is used in the optimization of non-orthogonal Hartree-Fock orbitals to avoid the collapsing of non-orthogonal orbitals.
- Grid format of orbital visualization files which can be visualized with Accelry's Discovery Studio Version 2.5 and up.
- Spherical harmonic projection. GAMESS and VB2000 stand-alone use Cartesian basis functions internally. A new option allows a user to get results for spherical harmonic basis functions.
VB2000 2.1 (R1) released (Feb. 10, 2010).
The latest version of WinGAMESS has VB2000 2.1 built-in.
To have the full functionality of VB2000 in WinGAMESS, you should have
WinVB2000 2.1 installed.
VB2000 2.1/WinVB2000 2.1 released (September 10, 2009).
If you have
WinGAMESS installed, you can run both WinGAMESS
and WinVB2000 jobs from the same WinVB2000 graphic interface by drag-n-drop input files into the WinVB2000 framework and click the run button.
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.