<* $Id: xnd_rel.html,v 1.1.1.1 2001/06/06 14:24:00 berar Exp $ *>
Release and package of xnd program.
Release and package of xnd program.
Contents
The release information is kept in the file xnd_ref.c. The number
and its date are printed on the listing. The first public release
was referred as xnd_1.00 in June 1991.
A list of modifications in the source code can be found in the file xnd_ver.v.
the following release information contain only the most important.
xnd_1.23 July 01
- Bug in B_iso refinement corrected (appears in xnd_1.20?)
- rules allowing multiple lines sets inside each phase
- some simple magnet phases supported
xnd_1.21 June 00
- Analytical correction for instrumental asymmetry is used for pseudo_voigt
- Asymmetry convolution parameters move from h and s to h+s and h-s/h+s
- Centering correction for curved position sensitive detector corrected
xnd_1.20 September 99
- New headers in the file
- Support of c composite structure
xnd_1.18 January 98
- R_Bragg and hkl files were corrupted in 1.17, corrected
- Correction of out of range tables in Instrumental Assymetry
xnd_1.17 October 98
- New definition for anisotropic thermal factors
b0*h*h+b1*k*k+b2*l*l+2*(b3*h*k+b4*h*l+b5*k*l)
b0*h*h+b1*k*k+b2*l*l+b3*h*k+b4*h*l+b5*k*l (in previous release)
- Anharmonic Gram-Charlier expansion allowed in simple phase
- Instrumental Asymmetry using convolution
xnd_1.16 October 97
- Incommensurates phases seems to be ok with big HKL.
- Cylinder absorption corrected
xnd_1.15 July 97
- Structure factor of incommensurate phase : it now uses the so-called
big indices, this allows to express simple symetry relation between
modulated terms, needed for incomensurate modulation vector with
rational component. New implemantation of extinctions.
- Absortion correction for cylinders or plates, not tested.
xnd_1.12 to 1.14, January-June 97
Test releases for incommensurate studies
- Structure factor of incommensurate phase : corrections to take
into account a rational component in the incomensurate modulation vector,
test version with no incommensurate derivatives.
- Observed intensities : correction of a bug in calculation of the
standard deviation printed in the hkl file
xnd_1.11 October 96
- Pattern matching : support for dodecaedral quasi crystal and correction
in the new file for quasi crystal.
- Makefile : support for Linux
All the files are contained in a compressed tar archive. The typical
installation procedure will be :
uncompress xnd_1.10.tar.Z
tar -xvf xnd_1.10.tar
make # to configure makefile
make # to build xnd
xnd demo/xnd_1.k # short test without data
cd demo
../xnd xnd_2.k # basic neutron test
Then you can install it in a common access directory. As it is done
by "make public" which copies the binary, the symetry and
and the diffusion file in "/usr/local/bin". The default
assumption is that these 3 files are in the same directory.
Contents of the distribution of XND, release 1.10
| xnd_????.c | source files.
|
| xnd_????.h | header included in source files.
|
| xnd_ref.csh | script for references, used at link time.
|
| xnd_ref.tim | time and release references, used at link time.
|
| xnd_????.d | symetry, diffusion data.
|
| makefile | command file to use with make
|
| mak/* | options for make depending on the system
|
| config.csh | script use by make for configuration
|
| demo/*.k | exemple files
|
| demo/*.dat | data used by some exemple files
|
| html/*.html | this documentation
|
| dos/* | ms_dos files
|
| bin/* | unix binaries
|
| util/* | related programs
|
System dependencies
Les noms de fichiers ou de chemins respectent les habitudes de
diverses machines :
DSK:....ch pour MSDOS
/usr/..../fich pour UNIX
[name.dir...]fich pour VMS
vol:folder:fich pour MAC
Les fichiers xnd_sym.d, xnd_dif.d sont cherches selon la compila-
tion dans les directory par defaut suivant :
dynamiquement dans le directory contenant le programme executable
quelque soit le catalogue de travail pour MSDOS et VMS (xnd.exe) dans ce
catalogue ( ou dans /usr/local si l'executable xnd n'est pas trouve par
argv[0] ou le PATH ) pour UNIX
le catalogue de travail pour MAC
JFB Feb 21th, 1997