10.2 VEND

• v6.7.3 (2006/01/30): Added a feature to input/output 3D density files, *.grd, created by GSAS after Fourier calculations. Fixed two bugs with the input of files with the VASP format.
• v6.7.2 (2005/04/16): Fixed a bug causing the disappearance of bonds in a ball-and-stick model input from *.vcs.
• v6.7.1 (2005/03/11): Addressed an issue preventing a user other than the Administrator from using VEND.
• v6.7 (2005/03/03): Corrected a bug with incomplete generation of equivalent positions from crystal data in *.vcs with the VICS format. Added support for minimum bond lengths recorded in *.vcs.
• v6.6.2 (2005/02/05): Improved the Orientation Dialog Box in such a way that six indices, u, v, w, h, k, and l, are restored when opening it again.
• v6.6.1 (2005/01/05): Changed "Surface", "Frame", and "Mesh" in the Models panel of the Dialog Bar into "Smooth Shading", "Wire-frame", and "Dot surface", respectively, again (refer to v6.5.4). The name of this panel was also changed from 'Models' to 'Surface type', again. Removed 'plane' in the Plane panel of the 2D Projection Dialog Box.
• v6.6 (2004/12/24): Resolved an issue with reading in part of text files with formats of other operating systems.
• v6.5.9 (2004/12/23): Fixed a trouble where a ball-and-stick model is invisible even if "Show model" has been checked after inputting a file, *.vcs, with the VICS format. Changed 'Gaussian 98' to 'Gaussian' because the Cube format remains unchanged on an upgrade from Gaussian 98 to Gaussian 03.
• v6.5.8 (2004/12/17): Changed {MAX} and {MIN} in the Contour Lines Dialog Box into {Max.} and {Min.}, respectively. Built VEND.exe by enabling Streaming SIMD Extensions 2 (SSE2) for PCs equipped with Pentium 4, Pentium M, parts of Celeron, Athlon 64, parts of Sempron, etc. Use VEND_P3.exe in the Programs folder if VEND.exe is aborted.
• v6.5.7 (2004/12/10): Fixed a bug with VEND 3D data files, *.3ed, output by VEND. The Close button in the Export Graphics Dialog Box that appears when saving a 3D image file was changed into the Cancel button.
• v6.5.6 (2004/11/25): Changed "(hkl) plane on the screen" into "Project along the normal to (hkl)" in the Orientation Dialog Box.
• v6.5.5 (2004/11/22): Changed the Orientation Dialog Box appreciably. Two different modes can be used to specify the direction of projection and the upward direction on the screen: "Project along [uvw]" and "(hkl) plane on the screen". In the View direction panel, a lattice vector, [uvw], and a reciprocal lattice vector perpendicular to an (hkl) plane are input if "Manual selection" has been checked. Bear in mind that the six indices must satisfy the condition hu + kv + lw = 0.
• v6.5.4 (2004/11/20): Changed "Surface", "Frame", and "Mesh" in the Models panel of the Dialog Bar into "Smooth Shading", "Wire-frame", and "Dot surface", respectively. The name of this panel was also changed from 'Models' to 'Surface type'.
• v6.5.3 (2004/11/03): Slightly modified the 2D Projection Dialog Box. Improved some lines in the Output Window; for example, added units for lattice parameters.
• v6.5.2 (2004/10/29): Slightly modified the Preferences Dialog Box.
• v6.5.1 (2004/10/20): Fixed a bug that resulted in inclusion of (n X n) images when saving a TIFF file of a two-dimensional map.
• v6.5 (2004/10/09): Modified the source code so as not to issue warnings when compiling it with Intel C++ Compiler 8.0 or later. Added the Smoothing panel containing [More] and [Less] buttons in the Isosurfaces Dialog Box to smooth isosurfaces by Catmull-Rom spline interpolation. Numbers of pixels along a, b, and c directions are doubled when clicking [More] and halved when clicking [Less]. Fixed a bug with the click rotation mode. Modified the About Box slightly.
• v6.4.3 (2004/09/14): Fixed a bug causing a failure in saving preferences_VEND.init. Some minor changes for the forthcoming Mac OS X version.
• v6.4.2 (2004/09/11): Improved the file open/save dialog box in the Linux version using GTK+-2.4. Slightly modified the source code.
• v6.4.1 (2004/09/02): Added 'static' to global variables and functions to limit the scope of them within files including them. Restored close () in place of hide(). Solved problems with obtaining information about dialog boxes. All the dialog boxes are closed before opening a new file. Added an acknowledgment in the About Box.
• v6.4 (2004/08/25): Decreased the memory size for VEND just after launching it from ca. 204 MB to ca. 17 MB, which was achieved by dynamic allocation of arrays in the same manner as with VICS v5.0. Increased both the maximum number of pixels on isosurfaces and the maximum number of polygons to 1 073 741 823.
• v6.3.1 (2004/08/12): Changed glui->close() in open.cpp to glui->hide(); unfortunately, this part remained unchanged in v6.3.
• v6.3 (2004/07/16): Modified the source code to avoid errors when displaying a 2D map in the 2D Map Window. Check dialog_ID when opening a dialog box and change glui->close() to glui->hide(), which leads to the disappearance of a warning message "GLUT: Warning in (unamed): glutSetWindow attempted on bogus window." Both of the modifications are effective only in the Linux version. Corrected a typographical error in the About Box, i.e., from 'whicfh' to 'which'.
• v6.2.1 (2004/07/07): Modified the About Box.
• v6.2 (2004/07/03): Changed the manner of drawing 2D maps in such a way that a full range of data are displayed even if negative data are included. The minimum value, Z(min), and the maximum value, Z(max), over a user-specified range are displayed at the upper left of the 2D Map Window.
• v6.1.1 (2004/06/04): A minor correction of the Preferences Dialog Box.
• v6.1 (2004/05/14): On the output of an EPS file containing a vector graphic, an array storing OpenGL objects is dynamically allocated with its size adjusted appropriately.
• v6.0 (2004/05/11): Supported dynamic allocation of arrays for 3D pixel data using pointers. Consequently, there is no limitation on the maximum numbers of pixels along a, b, and c directions.
• v5.0.1 (2004/04/29): If the memory size is too small to deal with graphic data in the main memory, the following error message appears: Insufficient memory to output an EPS file with vector data.
• v5.0 (2004/04/28): Added support for EPS files storing vector data without any translucent isosurfaces. At least 512 MB of RAM is required to utilize this new feature.
• v4.3.2 (2004/04/08): Changed 'Nuclear Density' in 'About VEND' into 'Nuclear Densities'. Changed 'Settings' in the Preferences Dialog Box into 'Other settings'.
• v4.3.1 (2004/03/26): X coordinates are no longer exchanged for Y coordinates after reading in 3D data files, *.sca or *.scat, output by contrd. Corrected a relevant description in Readme_contrd.txt. From now on, no source code of VEND will be distributed.
• v4.3 (2004/03/01): Decreased the unnecessary CPU load considerably while ceasing from operation.
• v4.2.2 (2004/02/13): Modified the Projection panel in the General Dialog Box; {Perspective} was changed into {Accentuation}.
• v4.2.1 (2004/02/03): Fixed an issue where parts of atoms and bonds are not drawn when reading in *.vcs with VEND_P4.exe optimized for Pentium 4 processors.
• v4.2 (2004/01/28): Modified the source code of VEND in such a way that no warnings were output by Microsoft Visual C++.NET 2003 except a warning related to JasPer. Fully optimized for Pentium 4 processors. The name of the resulting executable binary program is VEND_p4.exe.
• v4.1.5 (2004/01/23): Increased the maximum length of the absolute path + file name for each input/output file from 260 (in effect 80 because of a bug) to 512. Parallel projection has become the default setting.
• v4.1.1 (2004/01/13): Increased the maximum length of the absolute path + file name for each input/output file from 256 to 260.
• v4.1 (2004/01/05): Binary files (ID = 0), *.prim or *.pri, storing 3D densities in the unit cell can be opened. These files are output by PRIMA v3.1 or later. ID numbers assigned to all the old formats have been increased by one. Consequently, VEND script files, *.vnd, created with old versions of VEND can no longer be input by VEND v4.1 or later.
• v4.0 (2003/12/26): Added a function to colorize an isosurface to show the value of another physical quantity at each point on the surface. The shape of the surface illustrates one piece of information whereas the color indicates a different piece of data. Typically, an isosurface of electron densities is colorized to show electrostatic potentials. Text files, *.3ed, with the VEND 3D data format can be output.
• v3.2.1 (2003/12/02): Increased the maximum number of atoms in the asymmetric unit to 1 200.
• v3.2 (2003/11/27): Added a function to input surface data files, *.mmp, created by MacMolPlt from GAMESS log files, *.log.
• v3.1 (2003/11/19): Implemented features to input crystal data in files with the VASP and XSF formats. Only electron densities and electrostatic potentials can be displayed in the case of VASP files while electron densities, electrostatic potentials, and wave functions can be visualized for XSF files.
• v3.0.3 (2003/10/31): Corrected a typographical error in the General Dialog Box, i.e., from 'Perspecive' to 'Perspective'.
• v3.0.2 (2003/10/30): Corrected a typographical error in the name of a palette, i.e., from 'Invers Rainbow' to 'Inverse Rainbow'.
• v3.0.1 (2003/10/22): Added extension 'sca' for text files output by contrd in the Open Dialog Box.
• v3.0 (2003/10/03): (a) Selection of isosurfaces for positive, negative, and (both positive and negative) values with radio buttons in the Isosurfaces Dialog Box, (b) inclusion of virtual negative electron densities in *.rho, which enables us to display differences in electron densities between two datasets, and (c) specifying whether sections of isosurfaces appear or disappear (transparent sections) at drawing boundaries (Cartesian coordinates) or unit-cell edges (crystals).