v5.8.0

Moderate update.

A small bus was fixed related to the calculation of F(Q) and S(Q) in the powder menu.
Discus/stack received a new command "first", which allows the user to fix the first layer type in a stacking sequance to be determined randomly (as in previous versions) or to fix it to a given layer type.

Kuplot was enhanced to read CSV files that are generated from PANAlytical powder data.

v5.7.1

Minor Update.
A bug in connection with the calculation of F(Q) and S(Q) was fixed.
DISCUS got a new command 'molecularize' that allows to group atoms into a molecule.
Colors are introduced to error messages.
pgplot5.2.tar.gz

v5.7.0

A major new release.
The windows version can now run parallel refinements as well. The new command 'parallel' will start parallel versions of the suite. See the Manual for details.
To aid this parallel algorithm, new variables related to the refinement process were introduced.
Minor points are:
improved error handling in case of macro termination errors.
Use of names like "blue" for colors and styles in kuplot
The beginning of a molecularize command in discus
The ability by "symmetry" to rotate partial molecules

v5.6.4

Minor bug correction to improve writing of 3D mrc files

v5.6.3

Minor Bug fix.
DISCUS did not treat unit cell files with multiple "SCAT" or "ADP" lines properly

v5.6.2

Several bug fixes, most importantly, two fixes:
DISCUS did not expand properly molecules in asymmetric units that were stored internally.
The regular read of a structure did not set the correct total number of atoms within all molecules, partially causing above bug.

v5.6.1: New Version 5.6.1

Minor bug corrections related to the memory use during a MPI distributed refinement. The program will suffer a much smaller memory increase during the refinements.
For Windows the exit behavior of the programs was improved. The stand alone versions of DISCUS, DIFFEV have been changed to require a confirmation by a simple key stroke after the exit. Stand alone KUPLOT and the SUITE do not require this keystroke. All programs will, however, keep the respective window open in case of an abnormal exit.

Added an MMC option to shift an atom along a vector.

v5.6.0

The main change is a unification of the "run_mpi" command within diffev. Starting with this release, this command should be used for all diffev refinements, regardless whether an actual parallel environment is used via MPI or a serial refinement is preformed. Use "run_mpi" in an identical fashion and identical slave == discus and kuplot macros. Works fine on all platforms.
This will work best if used within the discus_suite, which should really be the standard program by now.
The diffev manual part has been updated accordingly.
A small improvement concerns the CYGWIN installation, You should start the install script with an argument that is the current source code archive. See the file AAA_INSTALL_DISCUS_CYGWIN.pdf for further details.