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alexxy/gromacs.git
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
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
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
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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2010-08-26
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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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
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
Sander Pronk
Some documentation changes.
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2010-08-26
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-26
Erik Lindahl
Modified pdb2gmx to automatically pick the force field...
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2010-08-26
Rossen Apostolov
Modified the OpenMM wrapper interface to support the...
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2010-08-26
Rossen Apostolov
Added the g_pme_error tool from Florian Dommert. Thanks!
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2010-08-26
Rossen Apostolov
Fixed hardcoded OpenMM library name.
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2010-08-26
Sander Pronk
gmx_bar now works with derivative histogram sets.
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2010-08-26
Erik Lindahl
Fixed pointer typo in patch from Alexey Shvetsov
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2010-08-26
Erik Lindahl
Added PBC checking patch to g_cluster from Alexey Shvet...
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2010-08-26
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-26
Erik Lindahl
Modified pdb2gmx to not accept extra hydrogen atoms...
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2010-08-26
Sander Pronk
Free energy histogram bug fixes.
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2010-08-26
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-26
Erik Lindahl
true/false input settings should be called bool instead...
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2010-08-26
Berk Hess
fixed bug that caused corrupted checkpoint files
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2010-08-26
Sander Pronk
derivative histograms are now written in both positive...
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2010-08-26
Berk Hess
pdb2gmx now only allows a mismatch of a sign (iso any...
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2010-08-26
Sander Pronk
g_bar reads dhdl.xvg files without derivatives.
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2010-08-26
Sander Pronk
Free energy writing to ener.edr and four new options...
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2010-08-26
Teemu Murtola
Fixed valgrind warnings and a segfault in pdb2gmx.
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2010-08-26
Mark Abraham
Spelling fixes in pdb2gmx documentation
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2010-08-26
Mark Abraham
Made the description of ld_seed and gen_seed seed gener...
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2010-08-26
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-26
Erik Lindahl
Revert "Made pdb2gmx be slightly more helpful when...
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2010-08-26
Rossen Apostolov
Removed the unnecessary hacks from some boolean statements.
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2010-08-26
Erik Lindahl
Updated completions for 4.5 release
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2010-08-26
Erik Lindahl
Made /usr/local/gromacs default installation path in...
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2010-08-26
Erik Lindahl
Updated html documentation for release 4.5
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2010-08-26
Erik Lindahl
Updated manual pages, now with correct version (4.5...
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2010-08-26
Erik Lindahl
Fix for warning in ngmx makefile
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2010-08-26
Erik Lindahl
Changed version to beta4
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2010-08-26
Erik Lindahl
Updated scripts to produce 4.5 man pages
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2010-08-26
Erik Lindahl
Updated manpages for 4.5 release
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