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Materials Algorithms Project
Program Library

MAP_CRYSTAL_AVIEW is an interactive program which is designed to produce pictures of multi-atomic systems and enables the user to rotate and view them from any desired orientation. As these pictures can be copied to the clipboard or to other files in scalable formats, this application is a useful aid in the preparation of scientific/engineering papers and reports. The software available on this website is Aview version 1.1.4 (6-7-1999). The latest version can be downloaded from the Aview homepage [1]. The user must provide in an input file the co-ordinates of each atom in the picture. Some of the features available in the program for modifying the form of the picture include:

The colour and size of each type of atom can be specified.
The background colour can be set as desired.
The angular orientation of the picture can be specified. Alternatively the picture can be rotated visually using the mouse.
The pictures can be saved as a PostScript file (*.ps), an Encapsulated PostScript file (*.eps), an Enhanced Meta file (*.mgf), an Ngraph Shell file (*.ngp) or to the clipboard.

Data and Parameter Files

AView uses two kinds of files to record details about the pictures: data files (filename.dat) and parameter files (filename.avp).

The data files must be produced by the user and provide information on the position (x,y,z) and type (M_i) of each atom in the picture. The format of the file is as follows:

C
C Comment lines in the file should begin with C
C
      x₁    y₁    z₁    M₁
      x₂    y₂    z₂    M₂
      x₃    y₃    z₃    M₃
      ....

The following restrictions apply to the input data:

The total number of atoms must not be greater than 1,000,000.
The number of different types of atoms must not exceed 100.
The number of characters used to identify the different types of atoms (M_i) must not be greater than 4.

The data files are not modified in any way by the program. Some example data files (*.dat) are provided with the program.

The parameter files are created by AView to record the parameters used to draw the picture. e.g. atom size and colour; background colour; orientation; picture size.

Installing and Running the Program
The downloadable file, AView114.zip, contains the following files:

AView.exe - the executable file for AView version 1.1.4.

Directory: /doc - contains:

`readme-e.txt`	-	Instruction manual for the program. English version.
`readme-j.txt`	-	Instruction manual for the program. Japanese version.
`history-e.txt`	-	List of updates made to previous versions of the program. English version.
`history-j.txt`	-	List of updates made to previous versions of the program. Japanese version.

Directory: /sample - contains:

*.dat - Sample data files. Further details can be found on the comment lines in the top of each file.

*.avp - Sample parameter files.

The file AView114.zip must be expanded using a suitable program such as WinZip. The only file needed to run the program is the executable file, AView.exe. It is recommended that the directories /doc and /sample and their contents are placed in the same directory as AView.exe. To run the program just double-click on the file AView.exe. Sample data files can then be read into the program by selecting the menu options `File' and `Open data file'. Further details can be found in the file readme-e.txt.

This program was compiled using MS-VisualC++6.0 Enterprise Version. All rights of this software are reserved by the author (Kunio TAKAHASHI) except for that part belonging to Microsoft. However, you may use, copy, and distribute this software for free. When redistributing this software, you are recommended to include at least all the files listed above. The author and distributor accept no responsibility for any results of using this software. The user must assume all risks when using it.

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References

AView home-page: https://www.mep.titech.ac.jp/KTakahashi/AView/.
See also Dr. Kunio Takahashi's web-site at https://www.mep.titech.ac.jp/KTakahashi/.

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Parameters

Input parameters

x_i - real: x_i is the x co-ordinate of the i^th atom.
y_i - real: y_i is the y co-ordinate of the i^th atom.
z_i - real array: z_i is the z co-ordinate of the i^th atom.
M_i - character string: M_i is an identity label for the i^th atom and is used to classify the atoms into different groups.

Output parameters

Image files: The pictures can be saved as a PostScript file (*.ps), an Encapsulated PostScript file (*.eps), an Enhanced Meta file (*.mgf), an Ngraph Shell file (*.ngp) or to the clipboard.

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1. Program text

       Complete program.

2. Program data

C Scalable position data file 
C 5 atoms in a diamond structure
C The nearest neighbour distance is 1 (normalized)
C
C 0                   0                   0
C 0                   0                   1
C DSQRT(8)/3          0                  -1/3
C-DSQRT(2)/3         +DSQRT(2/3)         -1/3
C-DSQRT(2)/3         -DSQRT(2/3)         -1/3
C
 +0.000000000000E+00 +0.000000000000E+00 +0.000000000000E+00 Si_C
C
 +0.000000000000E+00 +0.000000000000E+00 +1.000000000000E+00 Si_1
 +9.428090415821E-01 +0.000000000000E+00 -3.333333333333E-01 Si_1
 -4.714045207910E-01 +8.164965809277E-01 -3.333333333333E-01 Si_1
 -4.714045207910E-01 -8.164965809277E-01 -3.333333333333E-01 Si_1

3. Program results

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MAP originated from a joint project of the National Physical Laboratory and the University of Cambridge.

MAP Website administration / map@msm.cam.ac.uk

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Language:	Executable program only.
Product form:	Executable file and sample data files.
System requirements:	IBM PC/AT or compatible computer. Intel 8086 CPU or later/compatible. Windows 95, Windows 98, or NT4.0 (or later).

Materials Algorithms Project
Program Library

Program MAP_CRYSTAL_AVIEW

Provenance of Source Code

Purpose

Specification

Description

References

Parameters

Input parameters

Output parameters

Error Indicators

Accuracy

Further Comments

Example

1. Program text

2. Program data

3. Program results

Auxiliary Routines

Keywords

Download

	`*.dat`	-	Sample data files. Further details can be found on the comment lines in the top of each file.
	`*.avp`	-	Sample parameter files.

Materials Algorithms ProjectProgram Library

Input parameters

Output parameters

1. Program text

2. Program data

3. Program results

Materials Algorithms Project
Program Library