Contents Prev Manual

PROGRAM MVENTR

To draw magnetic structures in 3D in SGI inventor format

Description:

MVENTR is a program to draw magnetic structures, described in a standard crystal data file, in IRIS inventor ascii format.

Input:

The crystal data file must contain all the information that would be required for magnetic structure factor calculations viz:
Symmetry (S) cards
Cell (C) card
Atom (A) cards
Form factor (F) cards
Magnetic structure (Q) cards
in addition special "X" cards are required to describe the graphical output these are:
X ARRO <Data> to define the proportions of arrows representing
the magnetic moments.
The <Data> are 4 real numbers: the head length, the head radius, and the tail radius all given as fractions of the total length of the arrow. The final number is the scale relating the length of an arrow in Angstroms to its moment in Bohr magnetons.

X CM/A <Scale>
<Scale> gives the scale of the picture in cms/Angstrom unit.

X <Atom Name> SYMB <Data> indicating how to draw each type of
atom.
There should be one SYM B card with a matching <Atom Name> for each A card .
The <Data> are a real number, the radius of the atom in Angstrom units followed by the name of the colour to be used to paint it.
If the atom has a magnetic moment the name for the arrow colour must also be given. The colour names recognised are:
Red,Tomato,Crimson,Orange,Gold,Yellow,YelGreen,Green,Grass,Aqua,
Azure,Skyblue,Blue,Navy,Violet,Magenta,Pink,Black,White,Grey,
Bisque,Beige,Brown,Chocolate.

Only the first 4 characters of the name need be given, they are case insensitive.

Example X cards for Fe2Ti
X ARRO .333 0.1667 .0833 1.2
X SYMB Fe1 .25 Skyblue Yellow
X SYMB Fe2 .25 Blue Yellow
X SYMB Ti .4 Pink
X CM/A 1

Output:

The usual listing file reporting what was read from the crystal data file and how it was interpreted.
An IRIS inventor ascii format file which can be viewed on a Silicon graphics workstation. It will have the leaf name of the CDF and extension .iv.

Running the program:

On running the program the user will be asked in the usual way for the name of the crystal data file and the name for the output file.
Next the numbers of unit cells to be drawn in the directions of the a,b and c crystallographic axes, are required. They should be given in that order.
The magnetic structure can then be displayed on a Silicon Graphics workstation using the SceneViewer application. This may be started by double clicking the output file icon, or giving the UNIX command
SceneViewer <output file-name>

Calls:

ARROW ASK ATOM EQPOS ERRCHK ERRMES GMADD GMEQ GMPRD GMREV GMSCA GMSUB INDFIX INDFLO INPUTN JGMEQ JGMZER LABAX LATGEN LINES MAGCNC MVENTX NVENTR ORTHO PREFIN RADIAN RDNUMS ROTSYM SCALPR SETFCM SPHPOL UNIVEC

Common blocks used:

/CONSTA/ to use TWOPI
/IOUNIT/ to use LPT
/MAGDAT/ to use NMAG MAGAT ANGM SMOD PHIH IPTAB SPIND
/POSNS/ to use NATOM
/NSYM/ to use NCENT NOPC NLAT
/SATELL/ to use PROP
/SYMDA/ to use TRANS ALAT
/SYMMAG/ to use OTRSYM MTYP MODUL

*** MVENTR by PJB APRIL 92 ***

Classification:

Magnetic Structure Factors . . . . . . . Main Program

SUBROUTINE ARROW(P,S,N)

Writes postscript output to plot an arrow in MAG3D

Calls:

GMEQ GMSCA MAKROT UNIVEC

Called by:

MVENTR

Common blocks used:

/VFRMTS/ to use all members
/IOUNIT/ to use IPLO
/LAYOUT/ to use all members
/PICDEF/ to use CMPERA APERMB

Classification:

Graphical Output . . . . . . . Utility

SUBROUTINE ATOM(R,N)

Writes postscript output to plot an atom in MAG3D

Calls:

GMSCA

Called by:

MVENTR

Common blocks used:

/VFRMTS/ to use all members
/IOUNIT/ to use IPLO
/LAYOUT/ to use all members
/PICDEF/ to use CMPERA



SUBROUTINE COLORS(NAME,CODE)

Sets CODE to the hex RGB code for the colour NAME

Description:

The colours recognised are: Red,Tomato,Crimson,Orange,Gold,Yellow,
YelGreen,Green,Grass,Aqua,Azure,Skyblue,
Blue,Navy,Violet,Magenta,Pink,Black,White,
Grey,Bisque,Beige,Brown and Chocolate.

They are identified by the first four characters of their names

Calls:

NCFIND UPONE

Called by:

MVENTX

*** Colors new by PJB May-3-1994 ***



SUBROUTINE LABAX(RV,RS,IAXE)

Calls:

GMADD GMEQ GMSCA MAKROT UNIVEC

Called by:

MVENTR

Common blocks used:

/VFRMTS/ to use all members
/IOUNIT/ to use IPLO
/LAYOUT/ to use all members
/PICDEF/ to use CMPERA



SUBROUTINE LINES(PTS,NPTS)

Writes inventor output for indexed lines

Calls:

GMSCA

Called by:

MVENTR

Common blocks used:

/IOUNIT/ to use IPLO
/PICDEF/ to use CMPERA
/VFRMTS/ to use all members
/LAYOUT/ to use all members

*** LINES new by PJB April 94 ***



SUBROUTINE MAKROT(P,ROT)

Calls:

GMEQ SCALPR UNIVEC VECPRD

Called by:

ARROW LABAX

Common blocks used:

/LAYOUT/ to use all members



SUBROUTINE MVENTX

To read the "X" cards for MVENTR

Calls:

COLORS ERRCH2 ERRCHK ERRMES FINDCD HEXCOL IATOM RDNUMS RDREAL RDWORD

Called by:

MVENTR

Common blocks used:

/ATNAM/ to use ATNAME
/IOUNIT/ to use ITO
/MAGDAT/ to use MAGAT
/PICDEF/ to use CMPERA APERMB
/POSNS/ to use NATOM

*** MVENTX new by PJB May 94 ***



SUBROUTINE NVENTR(MODE)

Calls:

ASK FILNOM NOPFIL

Called by:

MVENTR

Common blocks used:

/CARDRC/ to use ICRYDA
/CONSTA/ to use TWOPI
/IOUNIT/ to use IPLO
/LAYOUT/ to use all members
/SCRACH/ to use all members
/VFRMTS/ to use all members



SUBROUTINE HEXCOL(CODE,RGB)

Called by:

MVENTX



BLOCK DATA FRMATS

Common blocks used:

/VFRMTS/ to use all members
/LAYOUT/ to use all members



FUNCTION EXOPHS(PHASE)

Modulates the phase for exotic magnetic structures

Description:

This version for spin-slip

Calls:

EXOPHS

Called by:

EXOPHS

Common blocks used:

/CONSTA/ to use PI




Contents Manual

P. Jane Brown e-mail: brown@ill.fr
Institut Laue Langevin,
Grenoble, FRANCE