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 The use of individual commands to define parameters has been replaced by a new command "newparam".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.

v5.8.1

Minor update, mostly internal developments to ease the Python interface

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.