v.5.21.0

Small update

Package:
revised the reaction to a CTRL-C

added a "save" and "old" option to the 'set error' command

v.5.20.1

A recent update of openmpi under cygwin forced a few follow up changes in discus_suite, Corrected the Windows release

DISCUS
property
added forgotten 'ligand' option

LIB_F90
Fixed a small bug related to character strings that are identical in value and name like external='external'

v.5.20.0

Windows version 5.20.0 crashes, expect an update soon

Moderately revised the manuals

DISCUS
Added a logical function to test the status of atom properties

DIFFEV
Modified the writing of "diffev_best", the final "exit" at the end of the macro has been discarded

LIB_F90
added the option to toggle the wait command on/off

MIXSCAT
updated , no functional changes

CYGWIN
put installation scripts up to date

v.5.19.0

DISCUS
deco
Added a new "chelate" decoration mode. The ligand is bound with two bond to a single surface atom, Added the missing documentation on the "acceptor" and "donor" modes.

DIFFEV

The internal working of the job distribution behind the 'run_mpi' command was improved to ensure that jobs for a given child are all placed onto the identical node in a multi node compute system
Fixed a bug related to the documentation iof the random seeds in the macro "diffev_best"

Fixed a few bugs in the command language related to character functions like getenv etc

v.5.18.3

BUG Fix

DISCUS
The read free command did not recognize the space group symbol at the windows versions.
FIXED

v.5.18.2

Bug Fixes

DISCUS
Improved reading of CIF files for ions like "Ti4+" and "Ti+4"
Modified behavior for "remove molecule". The resulting "void" atom retain their molecule status.

Added an "occupancy"

LIB_F77
Fixed the behavior of the "system" command. The new F2008 procedure EXECUTE_COMMAND_LINE caused crashed for cygwin

v.5.18.1

BUG fix

discus
old style cell/stru files caused an occupancy of zero if read as stru fixed.

CYGWIN 32 bit version not available in this update, hopefully soon

v.5.18.0

Moderate Update

discus
Added occupancies throughout the program
Improved handling of CIF files (occupancies and missing blank lines at the end of a loop)

v5.17.1

Bug fixes

DISCUS
Enhanced the recognition of Ions in CIF files
Added a simplified origin list to stack create
DIFFEV
Corrected behaviour for macros with style prior to 5.17

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