This page contains the changes made in VOTCA-CSG important for the users. Version 1.2.2 (released 10.01.12)- added numpy solver for IMC
- cmake: updated FindGROMACS.cmake
- fixed coredump in csg_property (issue 114)
- fixed namespace in Fedora
- fixed problem with newlines in csg_property
- cmake: allow static fftw and gsl
- added dummy c function for cmake
- fixed conflicting type headers (real was defined)
Version 1.2.1 (released 25.08.11)
- csg_inverse: improve initial guess of the potential
- csg_inverse: fixes for min!=0
- table_extrapolate.pl: fixed flags and first point
- fixed tf iteration for multiple components
- fixed round-off error in grid search and csg_calc
- csg_inverse: typo fixed and additional checks
- fixed soname of libs
- improved cmake checks and error messages
- fixed pkg-config file
Version 1.2 "SuperDoris" (released 17.06.11)
- changed buildsystem to cmake
- added thermforce iteration method
- added csg_density
- a lot of framework clean up
- added type selector name:*
- allow long and restart of simulations
- added database class through sqlite3
Version 1.1.2 (released 04.04.11)
- csg_fmatch: added support for known forces (--trj-force option)
- fixed head of votca.7 manpage
Version 1.1.1 (released 01.03.11)
- fixed csg_inverse --clean
- make postupdate pressure work again
- fixed bug when reading exclusions from tpr
- end with error in csg_stat if bead type does not exist (issue 77)
Version 1.1 "SuperAnn" (released 18.02.11)
- 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)
- added thread class
- added spline class, with akima spline, linear spline
- random.cc: avoid calling of exit()
- added lexical cast class
Version 1.0.1 (released 01.12.10)
- 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
- fixed a bug in VOTCARC.csh for empty LD_LIBRARY_PATH
- completion file has moved back to csg
- added --disable-rc-files to configure
- updated bundled libtool to 2.2.10
Version 1.0 (released 30.09.10)
- 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 optionsfull support for gromacs 4.5
- added libvotca_expat to allow compiling without expat
- allow comments in tables
- added application class to create standardized applications
- all boost dependecy are now in tools
- fixes in table format, flags is always last row now
- allow compling without fftw (needed for csg_boltzmann only)
- allow compling without gsl (needed for csg_resample and csg_fmatch)
Version 1.0_rc5 (released 16.03.10)
- fixed --first-frame option (--first-frame 1 before started at second frame)
- fixed compatibility issue when using gromacs development version
- updated configure, see --help
- added multi_g_density
- CSGRC is replaced by VOTCARC of votca_tools
- using libexpat instead of libxml2
- added libvotca_boost to allow compiling without boost
- using pkg-config to detect package flags
- compiles under AIX with xlC
- added VOTCARC to initialize all votca parts
- updated configure, see --help
Version 1.0_rc4 (released 08.02.10)
- using libtool to build shared libs\
- fixed a bug in error calculation of multi_g_rdf
Version 1.0_rc3 (released 29.01.10)
- 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
- corrected bug in tokenizer
- fixed a bug in calculation of version string
- some fixes concerning autotools
Version 1.0_rc2 (released 16.12.09)
- added version string to scripts
- fixed typo in calculation of version string
- added NOTICE and LICENSE to the dist tarball
Version 1.0_rc1 (released 11.12.09)
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