
                                VaspView 1.04

                   Copyright (C) 1999 Timothy B. Terriberry

Author
======

Timothy B. Terriberry
Virginia Tech
(snail-mail address subject to change)

tterribe@users.sourceforge.net



Introduction
============

This software was designed to aid David F. Cox, a chemical engineering
professor at Virginia Tech, in his research. It is a scientific visualization
package for examining output files generated by the Vienna Ab-initio
Simulation Package, a package for performing ab-initio quantum-mechanical
molecular dynamics using pseudopotentials and a plane wave basis set. It
displays iso-surfaces and slices of a three-dimensional data set, along with
the atoms that make up the molecule the calculations were performed for, and
allows symbolic bonds to be inserted between them.

This program requires OpenGL and GLUT, both freely available on many
platforms. Binaries are available for Win32 systems. All other systems require
manual compilation (a sample Makefile is provided; it may require some
editing).

Related web pages:
Vienna Ab-initio Simulation Package: http://tph.tuwien.ac.at/~vasp/
OpenGL: http://www.opengl.org
GLUT: http://reality.sgi.com/mjk/glut3/glut3.html
Mesa (a free, portable, OpenGL-like library): http://www.mesa3d.org/



Getting the software
====================

The current primary distribution site is
http://vaspview.sourceforge.net

Win32 binaries are available as
http://vaspview.sourceforget.net/vaspview-1.05-win32-bin.zip
Source code (for all systems) are available as
http://vaspview.sourceforget.net/vaspview-1.05-source.zip

Links to the most recent version of these files will be located at the bottom
of the above web page.

You can unpack these archives on UNIX systems using the command:
        unzip -a vaspview-1.05-source.zip
or:
        gzip -cd vaspview-1.05-source.tar.gz | tar xvf -
depending on which type of file you downloaded.

After unpacking the source files, you should have the following files in the
new "vaspview" directory:

readme.txt    - This file
vaspview.html - The homepage and user manual
license.txt   - The GNU public license
src/          - Source code
win32/        - MS Visual C++ 5.0 project files and nmake file
win32/Release - Win32 binaries

Note that "win32/Release/glut32.dll" is the DLL required by GLUT, and is
included for convenience. The source code for GLUT is not provided, so do not
delete this file, or you will not be able to run the Win32 executable (unless
you have GLUT installed somewhere else on your system). GLUT is freely
available from SGI.



Compiling and Installation
==========================

Neither OpenGL or GLUT are included with this distribution. You will have to
obtain a version of both for your system in order to re-compile the software.

UNIX systems:
An example Makefile is provided. This may require some editing to reflect the
locations of header files and library files on your system.

Once the Makefile has been updated to reflect your system, run
        make all
This will create an executable "vaspview" in the "bin" directory located in
your "vaspview" directory. You may then place this executable anywhere you
like (i.e.: a directory in your PATH).

Win32 systems:
An MS Visual C++ 5.0 project file and workspace is included in the "win32"
directory. You may have to edit the include directories to reflect the
location of glut.h on your system.

Once you have updated the search path for include directories, you can load
the project and compile the software. Note that the "glut32.dll" included
in the "win32/Release" directory is not compiled by this project, but is
required to run the program. If you delete this file, you will need to have
another copy available somewhere else in your search path.

Both the executable file "vaspview.exe" and "glut32.dll" can be moved anywhere
you want. Alternatively, you can place "glut32.dll" in your Windows system
directory, otherwise it should be in the same directory as "vaspview.exe"

This program has only been tested in Intel x86 systems. It may work on
versions of UNIX or Windows for other processors, however.



Reporting Bugs
==============

If you think you've found a bug in VaspView, first check if a newer version of
the viewer is available. If no new version exists, or the problem persists,
then report the bug.

When you report a bug, please give as much information as possible, including
your hardware, operating system, OpenGL implementation, GLUT version, which
version of VaspView you're using, and how to reproduce the problem, if possible.

Send bug reports to: tterribe@users.sourceforge.net



Future Plans
============

Currently the viewer only supports data files generated by the VASP package.
It would be nice to support additional file formats, but I do not know which
are in common use.