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Fix RelWithDebInfo name bugs, and use full optimization.
2014-09-20
Erik Lindahl
Fix RelWithDebInfo name bugs, and use full optimization.
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2014-09-02
Erik Lindahl
Fixed string var expansion in CMake due to CMP0053
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2014-08-10
Erik Lindahl
Make internal BLAS/LAPACK messages less noisy
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2014-07-28
Roland Schulz
Add unit test for random/Threefry
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2014-07-27
Erik Lindahl
Fix selection of xtc groups not starting at index 0
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2014-07-11
Erik Lindahl
Make AVX2 check more robust
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2014-06-24
Erik Lindahl
Fixed recent bug with disp.corr. and vdwtype=shift
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2014-06-23
Erik Lindahl
Enable terminus-specific atom translation
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2014-06-22
Erik Lindahl
Make log file option listing similar to mdp names
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2014-06-21
Erik Lindahl
Make sure masses are copied from termini databases
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2014-03-31
Teemu Murtola
Move some math headers away from legacyheaders/
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2014-03-16
Erik Lindahl
Use a constant instead of sizeof(int) for SSE2 immediate...
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2014-02-01
Erik Lindahl
Use pseudo-random instead of random streams to intialize...
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2013-01-17
Roland Schulz
Remove unnecessary ICC flags affecting performance
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2013-01-10
Erik Lindahl
Fixes SSE/AVX compilation under Windows
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2013-01-09
Erik Lindahl
Added work-around for gcc bug in AVX intrinsincs formal...
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2012-12-30
Erik Lindahl
Fixed GMXRC so we are not polluting standard shell...
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2012-12-27
Erik Lindahl
Fixed error message for zwitterion residues
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2012-12-20
Erik Lindahl
Fixed AVX256 double-precision kernels for gcc
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2012-11-22
Erik Lindahl
Fix for icc 13 optimization-related issue and TIP4P...
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2012-11-22
Erik Lindahl
Implemented RMS-based force tolerance in gmxcheck
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2012-11-22
Erik Lindahl
Fixed LJ-14 error in free energy
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2012-11-09
Erik Lindahl
Removed old (now unused) bluegene kernels.
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2012-11-09
Erik Lindahl
Removed unused old kernel generator
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2012-11-09
Erik Lindahl
Removal of stale Fortran/Power6 kernels
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2012-11-09
Erik Lindahl
Removal of stale Fortran kernels
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2012-11-08
Erik Lindahl
Fixed bug in the new switch-modified interactions in...
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2012-11-08
Erik Lindahl
Allow rcoulomb=rlistlong for PME with nstcalclr=1
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2012-06-21
Erik Lindahl
Fixed gcc inline assembly issue with PIC and older...
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2012-06-16
Erik Lindahl
New CPU detection & AVX/SSE code, removed raw assembly...
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2011-09-13
Erik Lindahl
Introduced different options for pdb2gmx termini introductio...
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2011-09-13
Erik Lindahl
Fixed incorrection AmberGS force field (redmine #728)
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2011-05-05
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2011-05-05
Erik Lindahl
Update doc to clarify that Amber nucleic params are...
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2011-05-05
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2011-05-05
Erik Lindahl
Update doc to clarify that Amber nucleic params are...
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2011-01-30
Erik Lindahl
Improved PBC handling for large molecules during cluster PBC
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2011-01-30
Erik Lindahl
Fixed the pbc cluster option of trjconv by switching...
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2010-10-09
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-10-09
Erik Lindahl
Fixed uninitialized variable warning in grompp.c
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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 forgetting...
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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
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
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
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 requested...
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2010-08-31
Erik Lindahl
Moved buggy and unsupported g_sdf to contrib directory...
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2010-08-30
Erik Lindahl
Improved handling of include paths in gmxcpp from Teemu
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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
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
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_energy.c
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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
Erik Lindahl
Dont write EOF warnings to stdout every time we checkpoint...
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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 declaration...
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2010-08-27
Erik Lindahl
Added trjconv check for topology prescence, see bugzilla 526
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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
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 Shvetsov...
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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
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
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
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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2010-08-26
Erik Lindahl
Removed useless g_logo and g_highway programs from...
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2010-08-26
Erik Lindahl
g_kinetics removed from automatically built programs...
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2010-08-25
Erik Lindahl
Fixed include path in vmdio.h
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2010-08-25
Erik Lindahl
Forgot to actually do the char->int change...
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2010-08-25
Erik Lindahl
Changed bool to signed integer instead of unsigned...
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2010-08-25
Erik Lindahl
Added missing header include
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2010-08-25
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-25
Erik Lindahl
Made sure all source files have some copyright header...
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2010-08-24
Erik Lindahl
Re-added openmm paper
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2010-08-24
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-24
Erik Lindahl
Updated intel syntax x86-64 asm files to also support...
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2010-08-22
Erik Lindahl
Fixed uninitialized variable error in GB kernel with...
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2010-08-22
Erik Lindahl
Fixed an unsigned/signed integer comparison
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2010-08-22
Erik Lindahl
Fixed two more instances of strcasecmp->gmx_strcasecmp
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2010-08-22
Erik Lindahl
Copied SSE intrinsics kernels from x86-64 to ia32
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2010-08-22
Erik Lindahl
Replaced all occurences of str(n)casecmp with gmx_str...
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