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alexxy/gromacs.git
2010-09-06
Szilard Pall
Merge branch 'release-4-5-patches'
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2010-09-06
Szilard Pall
Mark advanced variables/options that are not relevant...
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2010-09-06
Szilard Pall
Mark advanced GMX_BINARY_SUFFIX and GMX_LIBS_SUFFIX...
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2010-09-06
Rossen Apostolov
Added a note that running in double precision is slower.
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2010-09-06
Rossen Apostolov
A lot of CMake options are now marked as advanced since...
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2010-09-06
Sander Pronk
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-09-06
Sander Pronk
Fixed reading of older .xvg file formats in g_bar
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2010-09-06
Teemu Murtola
Improved package version handling in CMake.
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2010-09-06
Sander Pronk
Fixed misinterpretation of -b and -e in g_bar.
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2010-09-03
Sander Pronk
Added missing windows thread files to distribution...
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2010-09-02
Rossen Apostolov
Another missing CMake file.
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2010-09-02
Rossen Apostolov
Merge branch 'release-4-5-patches'
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2010-09-02
Rossen Apostolov
Updated the version numbers to 4.5.1.
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2010-09-02
Rossen Apostolov
Added for distribution missing CMake specific files.
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2010-09-02
Mark Abraham
Fix spelling error
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2010-09-01
Rossen Apostolov
New release: 4.5 (final). Yay!!!
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2010-09-01
Erik Lindahl
Removed lots of unnecessary messages to stdout from...
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2010-09-01
Erik Lindahl
Added Gerrit to the list of authors. Sorry for forgetti...
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2010-09-01
Rossen Apostolov
Added g_rmsdist and g_rotmat to the CMake build system
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2010-09-01
Sander Pronk
Shared libraries off by default on Windows.
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2010-09-01
Carsten Kutzner
Fixed make_edi when no fitting was done in g_covar
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2010-09-01
Sander Pronk
Added support for PGI atomics in thread_mpi.
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2010-09-01
Szilard Pall
Updated list of supported GPUs
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2010-09-01
Mark Abraham
Formatting fixes to documentation
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2010-09-01
Sander Pronk
Final thread_mpi fixes (ppc works, no deadlocks on...
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2010-09-01
Mark Abraham
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-09-01
Mark Abraham
make_opt.html now doesn't use <h4>, rather it uses...
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2010-09-01
Mark Abraham
General fixes
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2010-09-01
Rossen Apostolov
Small update of the GPU related documentation.
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2010-09-01
Sander Pronk
Code reorg in thread_mpi
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2010-09-01
hess
cleaner implementation of close_nblist with comments...
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2010-09-01
Rossen Apostolov
Small update of the GPU related documentation.
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2010-09-01
Rossen Apostolov
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-09-01
Sander Pronk
Code reorg in thread_mpi
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2010-09-01
Rossen Apostolov
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-31
Erik Lindahl
Made the options program for the latex manual compile...
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2010-08-31
Erik Lindahl
Fixed typo in src/contrib/Makefile.am
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2010-08-31
Rossen Apostolov
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-31
Erik Lindahl
Fixed incorrect call to gmx_finalize() in gmx_pme_error()
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2010-08-31
Erik Lindahl
Added final newline to avoid compiler warning in sfactor.h
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2010-08-31
Rossen Apostolov
OpenMM now accepts cut-off method, since it's needed...
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2010-08-31
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-31
Erik Lindahl
Added Cpack support
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2010-08-31
Sander Pronk
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-31
Sander Pronk
Fixed memory ordering issue on ppc with gcc&xlc.
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2010-08-31
Szilard Pall
Merge branch 'release-4-5-patches' of git://git.gromacs...
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2010-08-31
Szilard Pall
Improved option disabling on switching to OpenMM build...
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2010-08-31
Szilard Pall
fixed/improved cmake FFTW3 detection
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2010-08-31
Sander Pronk
thread_mpi fixes: gcc works on power7, xlc still does...
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2010-08-31
Szilard
Removed leftover debug message from openmm_wrapper
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2010-08-31
Teemu Murtola
Fixed CMake libxml2 detection.
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2010-08-31
Berk Hess
avoided creation of neighborlists without j-particles
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2010-08-31
Erik Lindahl
Added label writing capability to editconf when used...
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2010-08-31
Christoph Junghans
Revert "Disabled building template because it does...
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2010-08-31
Erik Lindahl
Added check for <2 frames when autocorrelation is reque...
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2010-08-31
Erik Lindahl
Moved buggy and unsupported g_sdf to contrib directory...
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2010-08-31
Sander Pronk
Fixed warning in gmx_energy
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2010-08-30
hess
g_rms now allows for more atoms in trx than tpr
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2010-08-30
hess
small changes to grompp documentation
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2010-08-30
David van der...
Disabled compilation of g_membed for the time being.
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2010-08-30
David van der...
Merge branch 'release-4-5-patches'
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2010-08-30
David van der...
Added one quote.
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2010-08-30
Christoph Junghans
fixed Template.mak
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2010-08-30
Christoph Junghans
fixed a typo in old libxdrf fortran wrapper
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2010-08-30
Erik Lindahl
Improved handling of include paths in gmxcpp from Teemu
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2010-08-30
Christoph Junghans
forcerec.c: added missing int
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2010-08-30
Teemu Murtola
Cosmetic fix to include/CMakeLists.txt.
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2010-08-30
Sander Pronk
grompp calculates output size with dh data estimate.
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2010-08-30
Sander Pronk
Clearer error messages in g_energy.
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2010-08-30
Sander Pronk
Fixed the g_energy -odh option to be less confusing.
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2010-08-30
hess
Corrected trjconv check for topology presence, see...
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2010-08-30
Mark Abraham
Made a pdb2gmx message less cryptic when it finds multi...
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2010-08-29
Sander Pronk
Made the dhdl_derivatives option do something when...
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2010-08-27
Erik Lindahl
Merge branch 'release-4-5-patches'
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2010-08-27
Erik Lindahl
Added longer list of authors...
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2010-08-27
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-27
Erik Lindahl
Added check for SSE2 support to use generalized born...
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2010-08-27
Christoph Junghans
added a missing include to sighandler.h
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2010-08-27
Erik Lindahl
Resolved merge conflict in gmx_membed.c
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2010-08-27
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-27
Erik Lindahl
Fixed gmxcpp to always use unix path separators in...
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2010-08-27
Roland Schulz
Parenthesis around comparisons and no <= or >= for xlc
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2010-08-27
Sander Pronk
Fixed begin and end times in g_bar.
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2010-08-27
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-27
Erik Lindahl
Fixed another uninitialized variable warning in gmx_ene...
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2010-08-27
Erik Lindahl
Add current path (./) to topol.top include when force...
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2010-08-27
Maarten Wolf
Moved g_membed functionality to mdrun
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2010-08-27
Maarten Wolf
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-08-27
Maarten Wolf
Moved membed functionality to mdrun
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2010-08-27
Sander Pronk
More documentation for g_bar.
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2010-08-27
Erik Lindahl
Dont write EOF warnings to stdout every time we checkpo...
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2010-08-27
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-27
Erik Lindahl
Fixed first statemement occuring before variable declar...
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2010-08-27
Sander Pronk
Some documentation changes.
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2010-08-27
David van der...
Disabled building template because it does not compile !
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2010-08-27
Sander Pronk
Some documentation changes.
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2010-08-26
Roland Schulz
Revert "Parenthesis around comparisons and no <= or...
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2010-08-27
Roland Schulz
fix logic to convert GMX_INTEGER_BIG_ENDIAN to ARCH_IS_...
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2010-08-27
Erik Lindahl
Added trjconv check for topology prescence, see bugzill...
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2010-08-27
Rossen Apostolov
New release 4.5-beta4
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