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Add initial support for python bindings
2013-01-08
Erik Lindahl
Add check to remove zero Charmm dihedrals
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2013-01-08
Erik Lindahl
Do not always add -msse2 to release flags for icc
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2012-12-30
Erik Lindahl
Fixed GMXRC so we are not polluting standard shell...
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2012-12-30
Erik Lindahl
Merge "Thread-MPI fixes for i386 llvm & simplification...
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2012-12-27
Erik Lindahl
Fixed error message for zwitterion residues
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2012-12-21
Erik Lindahl
Fixed gmx_cpuid not working on non-x86
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2012-12-20
Erik Lindahl
Merge "cmake: added option to disable quotes" into...
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2012-12-20
Erik Lindahl
Merge "Small fix for g_tune_pme" into release-4-6
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2012-12-20
Erik Lindahl
Merge "Fixes for andersen temperature control" into...
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2012-12-20
Erik Lindahl
Merge "Fixes for expanded ensemble and HREPEX" into...
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2012-12-20
Erik Lindahl
Fixed AVX256 double-precision kernels for gcc
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2012-11-29
Erik Lindahl
Double precision AVX-256 kernels
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2012-11-29
Erik Lindahl
Double precision AVX_128_FMA kernels
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2012-11-28
Erik Lindahl
SSE4.1 double precision kernels
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2012-11-28
Erik Lindahl
Double precision SSE2 kernels
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2012-11-28
Erik Lindahl
Ported back some AVX256 optimizations to SSE2/SSE4...
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2012-11-28
Erik Lindahl
128-bit AVX kernels, with FMA instructions for Opteron...
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2012-11-27
Erik Lindahl
Nonbonded group kernels for 256-bit AVX (Intel CPUs)
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2012-11-27
Erik Lindahl
Merge "Added affinity support check, visibility macros...
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2012-11-27
Erik Lindahl
Merge "fixed bug in nbnxn OpenMP non-bonded force reduction...
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2012-11-26
Erik Lindahl
Merge "Use stat for gmx_is_file. Fix get_libdir with...
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2012-11-26
Erik Lindahl
Merge "Extended build information output and reference...
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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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2012-11-19
Erik Lindahl
SSE4.1 single-precision kernels
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2012-11-16
Erik Lindahl
SSE2 single-precision kernels
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2012-11-13
Erik Lindahl
Removed some unnecessary instructions, and fixed a...
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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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2012-11-08
Erik Lindahl
Infrastructure for new group kernels, and new C kernels
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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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2011-09-16
Erik Lindahl
Merge "made allocation for LINCS with particle decomposition...
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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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