CHANGELOG
Votca Developer Team
02/18/2011

For more detailed information about the changes see the
history of the repository (http://code.google.com/p/votca/source/list?repo=csg&r=stable)


	Version in hg
	=============


	Version in 1.1 (SuperAnn)
	=========================

* added support for gromacs 5.0
* csg_dump: can dump exclusion
* added boundarycondition class
* added man pages, man7 and man1 for all bins
* csg_inverse: renamed ibm to ibi
* csg_inverse: many internal improvements
* csg_stat: added thread support, read exclusions from tpr file, uses grid search by default
* csg_inverse: added convergence check, postadd plot, better logging and weaker die
* csg_resample: added boundary conditions option and akima spline support
* csg_stat or csg_fmatch give an error if trj not given (issue 29)
* csg_get_interaction_property knows about defaults
* fixed segfault in mapping (Fixes issue 27)
* fixed bug in gromacs writer (frame.bX = true)
* fixed segfault in gromacs writer (issue 54)


	Version 1.0.1
	=============

* fixed custom md programs in sim scripts (issue 1)
* completion file is back from tools
* issue #21: fixed strange kink when pot.in was provided
* added --disable-rc-files to configure
* csg_call/csg_inverse: added installdir as failback for CSGSHARE
* updated bundled libtool to 2.2.10


	Version 1.0
	===========

* added postupdate script for scaling the update
* added options to perform analysis without giving a mapping file (--no-map). No need for dummy mapping file in IMC and csg_stat anymore.
* allow comments in tables
* fixed bug in pressure correction when p is negative
* added support for gromacs devel version
* fixed a bug when compiling with gcc-4.4
* fixed a bug that pot.cur was change at every step
* added application class for easy implementation of analysis programs
* fixed bug if initial potential was given and not used
* restart points in iterative procedure are not anymore deleted after step finished
* preliminary reader for ESPResSo Blockfiles and ESPResSo as Simulation program for csg_inverse
* preliminary reader for LAMMPS dump files (very limited features)
* allow compling without gromacs
* a lot new xml options
* full support for gromacs 4.5


	Version 1.0_rc5
	===============

* fixed --first-frame option (--first-frame 1 before started at second frame)
* fixed compatibility issue when using gromacs development version
* using libexpat instead of libxml2
* using pkg-config to detect package flags
* compiles under AIX with xlC
* updated configure, see --help
* added multi_g_density
* CSGRC is replaced by VOTCARC of votca_tools


	Version 1.0_rc4
	===============

* using libtool to build shared libs
* fixed a bug in error calculation of multi_g_rdf


	Version 1.0_rc3
	===============

* added option --wall-time to csg_inverse if run on a queueing system
* added option for IBI to run in parallel
* multi_g_rdf, a multiplexed version of g_rdf was added
* added some options to csg_call
* csg_resample now also calc derivatives
* fixed a bug in reading stuff from mpd file
* some fixes concering autotools
* fixed a bug in calculation of version string


	Version 1.0_rc2
	===============

* added version string to scripts
* added NOTICE and LICENSE to the dist tarball
* fixed typo in calculation of version string


	Version 1.0_rc1
	===============

* initial version





