10.1 VICS

• v5.6.1 (2005/06/17): Fixed a bug with the input of a symbol of element having more than two characters. Resolved an issue that data in a file, *.ics, with the ICSD format cannot be input correctly when a string that is accidentally the same as a keyword is included as a datum in *.ics.
• v5.6 (2005/06/10): Addressed an issue that changes a scale on each execution of function load_data when reading in F01 for SCAT. Added support for outputting *.ins (RIETAN-2000) containing comment lines up to 160 characters. Updated template.ins in the Programs folder.
• v5.5.8 (2005/05/17): Fixed a problem with visualization of a structural model from *.xsf (XCrySDen XSF format) containing oblique coordinates.
• v5.5.7 (2005/05/10): Modified expressions of structural models in the parts of bond radius in the Bonds and Preferences Dialog Boxes.
• v5.5.6 (2005/04/24): This version is a minor update to address four problems associated with CIF, *.cif, exported by VICS. Fixed a bug with the output of equivalent coordinate triplets. Added standard deviations in parentheses to lattice parameters. Fixed a bug with structure parameters having two-digit standard deviations in parentheses. Removed trailing blanks in lines giving structure parameters for crystallographic sites.
• v5.5.5 (2005/04/02): Removed part of the source code where the CPU time is measured and displayed in the Output Window.
• v5.5.4 (2005/03/31): Fixed a bug leading to the disappearance of a bond angle when its standard deviation falls within a definite range.
• v5.5.3 (2005/03/18): Changed [Plot range] in the Dialog Bar into [Boundary], the Plot range Dialog Box into the Boundary Dialog Box, and 'Range of fractional coordinates' in the Boundary Dialog Box into 'Ranges of fractional coordinates'.
• v5.5.2 (2005/03/12): Fixed a bug that leads to abnormal termination during reading in part of ICSD files, *.ics. Removed the last vacant lines in spgra.dat and spgri.dat; this improvement is also effective on execution of ALBA.
• v5.5.1 (2005/03/11): Fixed a problem preventing a user other than the Administrator from using VICS. Fixed a bug causing incorrect conversion of fractional coordinates in monoclinic space groups with only two settings (b- and c-axes unique) in the New and Edit Dialog Boxes.
• v5.5 (2005/02/26): Added two items, i.e., {Min. distance} for bonds, in the Search Bonds Dialog Box; this feature is indispensable for visualization of disordered structures.
• v5.4 (2005/02/23): Added the {Line width} of principal ellipses for thermal ellipsoids in the Atoms Dialog Box. A {Line width} of ca. 8.0 is appropriate when exporting an image file.
• v5.3.2 (2005/02/19): Fixed a bug in which symmetry operations displayed for each atom in the Output Window are incorrect in nonstandard settings of orthorhombic space groups. Changed check box "Show outlines of ellipsoids" into "Show principal ellipses" in the Atoms Dialog Box. Improved edges of coordination polyhedra and principal ellipses for thermal ellipsoids so that they are clearly visible on the screen.
• v5.3.1 (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. Fixed a minor bug with a limitation in the screen width.
• v5.3 (2005/02/03): Corrected a problem with incorrect orientation and shapes of thermal ellipsoids. Restored the feature (Baur's distortion index) implemented in v5.2. Changed a few lines in the Output Window on selection of a coordination polyhedron.
• v5.2.8 (2005/01/15): Fixed a bug with shifting the origin by specifying central coordinates in an input file, c04d, for contrd.
• v5.2.7 (2005/01/05): Changed "Polyhedra" into "Polyhedral" in the Models panel of the Dialog Bar, again (refer to v5.1.4).
• v5.2.6 (2004/12/23): Changed 'Gaussian 98' to 'Gaussian' because the Cube format remains unchanged on an upgrade from Gaussian 98 to Gaussian 03.
• v5.2.5 (2004/12/17): Fixed a bug that causes a movable lattice plane to be absent in the Graphics Window. Built VICS.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 VICS_P3.exe in the Programs folder if VICS.exe is aborted.
• v5.2.4 (2004/12/10): The Close button in the Export Graphics Dialog Box that appears when saving a 3D image file was changed into the Cancel button.
• v5.2.3 (2004/11/26): Fixed a bug that causes abnormal termination of VICS when clicking the OK button after inputting data in the New Data Dialog Box; this trouble is encountered only in the Linux version.
• v5.2.2 (2004/11/25): Changed "(hkl) plane on the screen" into "Project along the normal to (hkl)" in the Orientation Dialog Box. Corrected a problem with the input of Y-α-Sialon.cif.
• v5.2.1 (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.
• v5.2 (2004/11/19): On selection of a coordination polyhedron in the Graphics Window, an average bond length and a distortion index defined for bond lengths by Baur (1974) are given in the Output Window.
• v5.1.4 (2004/11/18): Fixed an issue where the same bond length may be displayed twice in the Output Window on selection of a bond in the Graphics Window. Modified several strings and inserted two vacant lines before and after a series of bond lengths for a coordination polyhedron in the Output Window. Changed "Polyhedra" into "Polyhedral" in the Models panel of the Dialog Bar in conformity with the expression "Polyhedral model." Removed unnecessary lines for an alternative setting of space group No. 152 in a database file spgri.dat.
• v5.1.3 (2004/11/03): Slightly modified the Preferences Dialog Box. Improved some lines in the Output Window; for example, added units for lattice parameters and a unit-cell volume.
• v5.1.2 (2004/10/29): Slightly modified the Preferences, New Data, and Edit Data Dialog Boxes. Corrected several lines in spgra.dat storing information about 230 space groups.
• v5.1.1 (2004/10/21): Fixed an issue where VICS is aborted while saving *.vcs with the VICS format after deleting many objects. Fixed a problem where the same bond is regarded as different objects deleted by the user.
• v5.1 (2004/10/09): Modified the source code so as not to issue warnings when compiling it with Intel C++ Compiler 8.0 or later. Fixed a bug with the click rotation mode. Modified the About Box slightly.
• v5.0.3 (2004/09/14): Fixed an issue with the New Data Dialog Box not able to create new crystal data. Some minor changes for the forthcoming Mac OS X version. Used common Vector.h in VICS and VEND.
• v5.0.2 (2004/09/11): Improved the file open/save dialog box in the Linux version using GTK+-2.4. Solved a buffer overflow problem when inputting files with the CSD and FDAT formats.
• v5.0.1 (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. Fixed a problem with a segmentation fault encountered when another file is opened after a file has been input. Added an acknowledgment in the About Box. Fixed a bug (in the Linux version) where files with the Windows format (end of each line: CR+LF) cannot be input correctly. Slightly modified the Linux version.
• v5.0 (2004/08/21): Decreased the memory size for VICS just after launching it from ca. 200 MB to ca. 20 MB; such dramatic downsizing of VICS was achieved by allocating arrays dynamically for coordination polyhedra. Fixed a bug that resulted in meaningless increases in CPU utilization. Fixed a bug with failure in animation in the "Push" mode of rotating objects.
• v4.5.2 (2004/07/30): Fixed a bug that resulted in the appearance of many extra atoms when inputting part of MDL Molfiles.
• v4.5.1 (2004/07/28): Fixed a bug with serial site numbers starting from 6 when reading in MDL Molfiles. Fixed a bug causing the generation of extra bonds on the input of MDL Molfiles.
• v4.5 (2004/07/16): Check dialog_ID when opening a glui 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." This modification is effective only in the Linux version.
• v4.4.4 (2004/07/07): Modified the About Box.
• v4.4.3 (2004/06/17): Solved a problem with fractional coordinates in CIF's output by VICS; representations with '/', e.g., 1/2 and 1/4, for special positions were changed into decimal fractions.
• v4.4.2 (2004/06/09): Fixed a problem with calculation of estimated standard deviations (e.s.d.'s) for interatomic distances in the presence of at least one e.s.d. for lattice parameters, α, β, or γ; the unit of α, β, and γ should be radian.
• v4.4.1 (2004/06/08): Fixed a problem with calculation of estimated standard deviations (e.s.d.'s) for interatomic distances in the presence of at least one e.s.d. for lattice parameters, α, β, or γ; an incorrect formula was used to calculate the e.s.d.'s.
• v4.4 (2004/06/04): Added support for a wider variety of files with the WIEN2k struct and XCrySDen XSF formats. Increased the maximum number of bonds for each atom from 25 to 70. A minor correction of the Preferences Dialog Box.
• v4.3 (2004/05/20): Added support for text files with Windows (CR+LF), Mac OS (CR), and UNIX (LF) formats. A unit-cell volume is displayed in the Output Window just after reading in crystal data. Fixed a bug with inputting symbols of elements from *.out created by VASP.
• v4.1 (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.
• v4.0.1 (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.
• v4.0 (2004/04/28): Added a feature to save EPS files storing vector data without any translucent coordination polyhedra. At least 512 MB of RAM is required to utilize this new feature.
• v3.3.5 (2004/04/09): Fixed a bug causing selected objects (atoms, bonds, or coordination polyhedra) to remain even after pressing the Delete key. Solved a similar issue where no hidden objects appear even after pressing the Esc key.
• v3.3.4 (2004/04/08): Changed 'Settings' in the Preferences Dialog box into 'Other settings'.
• v3.3.3 (2004/04/01): Fixed a bug with glide symmetry in space group P2/c (No. 13).
• v3.3.2 (2004/03/26): X coordinates are no longer exchanged for Y coordinates after reading in Cartesian coordinates of atoms in f01 for SCAT. Corrected a relevant description in Readme_contrd.txt. From now on, no source code of VICS will be distributed.
• v3.3.1 (2004/03/19): Increased the number of digits in *.vcs from 4 to 5 for translation matrices and fractional coordinates used when searching for atoms, which allows us to reproduce coordination polyhedra after saving crystal data and various settings in *.vcs.
• v3.3 (2004/03/01): Decreased the unnecessary CPU load to a certain extent while ceasing from operation.
• v3.2 (2004/02/26): Made it possible to input full space-group symbols for monoclinic space groups in CIFs.
• v3.1.5 (2004/02/23): Located "Use anisotropic atomic displacement parameters" and {Type} in the same block in the New/Edit Dialog Boxes. Added some sentences concerning atomic displacement parameters in Subsection 6.4 (VICS) in VENUS.pdf.
• v3.1.4 (2004/02/13): Modified the Projection panel in the General Dialog Box; {Perspective} was changed into {Accentuation}.
• v3.1.3 (2004/02/06): In the Parameters Panel within the Bonds Dialog Box, {Radius (B&S, poly)} was changed into {Radius (B&S, c.p.)}, where c.p. denotes coordination polyhedra.
• v3.1.2 (2004/02/04): Fixed a bug causing an error on the click of [New] if VICS.exe or VICS_P4.exe does not share the same folder with spgra.dat and spgri.dat. Solved a trouble in which bond angles are never displayed on the use of VICS_P4.exe.
• v3.1.1 (2004/02/03): Solved a trouble with the appearance of an error message "Buffer overrun detected!" during reading in *.ins with VICS_P4.exe optimized for Pentium 4 processors.
• v3.1 (2004/01/28): Modified the source code of VICS 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 VICS_p4.exe.
• v3.0 (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. Colors of coordination polyhedra can be changed independent of colors of central atoms.
• v2.9 (2004/01/13): Added a feature to save a VICS text file, *.vcs, just by pressing function key F2. The name of *.vcs is displayed in the Save Dialog Box, if any. Increased the maximum length of the absolute path + file name for each input/output file from 256 to 260.
• v2.8.4 (2003/12/18): Fixed a bug causing the disappearance of part of cylindrical bonds.
• v2.8.3 (2003/12/17): Fixed an issue with reading in an ICSD-format file where a space group name is followed by "R" (rhombohedral lattice).
• v2.8.2 (2003/12/11): Increased the maximum number of atoms in the asymmetric unit to 3000.
• v2.8.1 (2003/12/08): Solved a trouble with CIFs created by Crystallographica. Lattice parameters, α, β, and γ, in the Edit Data Dialog Box change appropriately on a change in the crystal system, e.g., from triclinic to monoclinic.
• v2.8 (2003/11/27): In this version, file *.vasp or *.vas, output by VASP must accompany another file, *.out (a file whose name contains '/OUTCAR.out' at its tail is renamed), having the same basename in the same folder. Symbols of elements contained in the current compound are no longer input from *.vasp or *.vas because they are input from *.out. Made it possible to input GAMESS input files, *.inp, as well as surface data files, *.mmp, created by MacMolPlt from GAMESS log files, *.log. Only the origin of the 3D grid is input from *.mmp.
• v2.7 (2003/11/19): Added features to input 3D data in files with the VASP and XSF formats.
• v2.6.2 (2003/11/06): Isotropic atomic displacement parameters, 'Biso' and 'Uiso', in the Output Window were changed into 'B' and 'U', respectively.
• v2.6.1 (2003/10/31): Corrected a typographical error in the General Dialog Box, i.e., from 'Perspecive' to 'Perspective'.