v5.17.0

All sections
Added new system variables that allow macros to check in which section and at what state they are
The logical comparisons may now take the more modern fortran style '==' '/=' '>=' '>' '<' '<='

DIFFEV
Fixed a BUG related to changes in the population size
Modified the parameters to the 'run_mpi' command. This allows to design more generic refinement macros
that need less fine tuning for different computer architectures.

KUPLOT
Modified the CVS reader to make it more generic

PGPLOT Library
Did a small fix that allows the KUPLOT fill command to work on noisy data.
Made a pgplot library version 5.2.3 that is easier to install with gfortran and LINUX or CYGWIN
This is called pgplot.5.2.3.tar.gz and included in this release. See AAA_INSTALL_DISCUS.pdf for details

v5.16.1

Predominantly a bug fix related to the internal handling of molecular B-values
Continued and finished the migration in DIFFEV to parameter names rather than parameter numbers.
As a consequence, the 'variable' command has been augmented by a 'reset' and 'delete, variable_name' option.
Diffev has received a 'reset' command to ensure that all settings are at the default values.

v5.16.0

Another major new release.
Throughout DIFFEV the style to describe parameters was modified substantially. The use of individual commands to define parameters has been replaced by a new command "newparam". The resulting parameter name can directly be used within DISCUS and KUPLOT.

Within KUPLOT a new command "costvalue" allows to pass a calculated R-value back to DIFFEV.

v5.15.0

A major new release.
Throughout the program a new style to handle named optional parameters has been introduced.
These parameters take the form "name:value" and may appear at any position in the command line
connectivity New optional parameters allows to specify if the connectivity is to
be restricted to the same molecule as the central atom.
stack The number of layers for each type is recorded into
the result variable.
surface The boundaries have improved and corrected behavior for internal
hollow spaces created by the "outside" flag.
Atom names may be specified as string variables in many places
decorate
The decoration menu is now fully functional
RMCprofile Format 6 is supported for import and the file can be rearranged in the DISCUS
unit cell ordering scheme
Manual Several updates to the manuals

v5.14.0

The random number generator that DISCUS used contained a small flaw in that it calculated random numbers from [0:1] with 1 included... For that reason I switched to the FORTRAN 90 internal random number generator. Should not affect the user.
A small modification in KUPLOT, the variable np[] will now return the total number of points in a 2D data set.

v5.13.0

Moderate update.

DISCUS: the "therm" command accidentally displaced the atoms by too large an amount. FIXED such that the average squared displacement corresponds to the B-value.
The decorate menu has been augmented to allow restricted decoration onto a specific plane or form.
SUITE/DIFFEV once you use the "run_mpi" command, DIFFEV will start to monitor the random number status of the slave processes. Upon an "exit" command, DIFFEV will write a macro file "diffev_best.mac" that will allow you to recreate the current best member of your refinement.

v5.12.0

Added further options to the surface/boundary command
Corrected behaviour of diffev/init command
Increase kuplot merge capability to more files

v5.10.1

Minor Update,

Checked Windows parallel and non parallel refinement model

v5.10.0

Moderate new release

The discus/surface menu received a new command "character" that allows you to determine whether an atom is at a planar, edge or corner like surface position.

Fixed several small bugs.

v5.9.0

Moderate update.
The read==> cell and read==>stru command have been enhanced to detect file formats.
Files ".cif", ".ins" & ".res", ".cssr" and ".txt" are interpreted as CIF, SHELX, RMCprofile and cmaker files respectively. The Files are still converted to a ".stru" file which is created on the disk, overwriting any old file of the same name.