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2013-01-17	Szilárd Páll	added missing cleanup of some nbnxn_cuda data	commit \| commitdiff \| tree
2013-01-17	Mark Abraham	Merge "Remove unnecessary ICC flags affecting performance...	commit \| commitdiff \| tree
2013-01-17	Mark Abraham	Merge "improved CUDA kernel performance by pre-loading...	commit \| commitdiff \| tree
2013-01-17	Christoph Junghans	Merge "Added note about make_edi and flooding in ED...	commit \| commitdiff \| tree
2013-01-17	Christoph Junghans	Merge "use the compiler version provided by CMake ...	commit \| commitdiff \| tree
2013-01-17	Roland Schulz	Merge "Merge branch 'release-4-5-patches' into release...	commit \| commitdiff \| tree
2013-01-17	Szilárd Páll	Merge changes I930b316c,Iea4283e0,I103648f8 into release-4-6	commit \| commitdiff \| tree
2013-01-17	Mark Abraham	BlueGene/Q installation notes	commit \| commitdiff \| tree
2013-01-17	Christoph Junghans	Merge "note the reason for auto-disabling GPU support...	commit \| commitdiff \| tree
2013-01-17	Mark Abraham	Merge "Added mdp option 'calc-lambda-neighbors'." into...	commit \| commitdiff \| tree
2013-01-17	Roland Schulz	Merge "clarify wording of GPU driver-related notes...	commit \| commitdiff \| tree
2013-01-17	Mark Abraham	Fix trjconv -sub with .trr files	commit \| commitdiff \| tree
2013-01-17	Berk Hess	fixed SD+BD integration slowing down with OpenMP threads	commit \| commitdiff \| tree
2013-01-17	Roland Schulz	Run regressiontests from build	commit \| commitdiff \| tree
2013-01-17	Sander Pronk	Added mdp option 'calc-lambda-neighbors'.	commit \| commitdiff \| tree
2013-01-17	Mark Abraham	Finally move OpenMM to contrib	commit \| commitdiff \| tree
2013-01-17	Roland Schulz	Fix confusing gmx_header_config.h include	commit \| commitdiff \| tree
2013-01-17	Szilard Pall	don't use polling with new driver	commit \| commitdiff \| tree
2013-01-17	Christoph Junghans	clean up fortran name mangling	commit \| commitdiff \| tree
2013-01-17	Berk Hess	fixed nbnxn hybrid mode with OpenMP	commit \| commitdiff \| tree
2013-01-17	Berk Hess	made PME load balancing + DD DLB more efficient	commit \| commitdiff \| tree
2013-01-16	Christoph Junghans	Remove debug statment	commit \| commitdiff \| tree
2013-01-15	Mark Abraham	Merge "Hid nbnxn kernel names behind a lookup function...	commit \| commitdiff \| tree
2013-01-15	Christoph Junghans	Merge "Added fatal error for constraints + L-BFGS minimizer...	commit \| commitdiff \| tree
2013-01-15	Christoph Junghans	Merge "disable OpenMP with all OS X gcc 4.2-based compilers...	commit \| commitdiff \| tree
2013-01-15	Sander Pronk	Merge "Continuation of documentation for expanded ensemble...	commit \| commitdiff \| tree
2013-01-15	Mark Abraham	Velocity-verlet integrators and v-rescale are broken	commit \| commitdiff \| tree
2013-01-14	Carsten Kutzner	Essential dynamics output file now in .xvg format	commit \| commitdiff \| tree
2013-01-14	David van der Spoel	Merge "Fixing trjconv -sub" into release-4-5-patches	commit \| commitdiff \| tree
2013-01-14	David van der Spoel	Merge "Noting that and why gmxdump -s -sys is broken...	commit \| commitdiff \| tree
2013-01-13	Roland Schulz	Merge "Fixes for md-vv and rerun" into release-4-6	commit \| commitdiff \| tree
2013-01-13	Roland Schulz	Merge "fixed resetting states with parallel Verlet...	commit \| commitdiff \| tree
2013-01-13	Roland Schulz	Proper fix for copyrite cuda dependence	commit \| commitdiff \| tree
2013-01-13	Michael Shirts	Fixes for md-vv and rerun	commit \| commitdiff \| tree
2013-01-13	Berk Hess	fixed resetting states with parallel Verlet scheme	commit \| commitdiff \| tree
2013-01-13	Christoph Junghans	Merge "Remove unused bfunc.h." into release-4-6	commit \| commitdiff \| tree
2013-01-13	Christoph Junghans	Merge "Clarified some comments & warnings about thread...	commit \| commitdiff \| tree
2013-01-13	Christoph Junghans	Merge "Manage BlueGene/Q configuration" into release-4-6	commit \| commitdiff \| tree
2013-01-13	Christoph Junghans	Merge "Re-organize BlueGene toolchain files" into release-4-6	commit \| commitdiff \| tree
2013-01-13	Christoph Junghans	Merge "Changed defaults for building shared libraries...	commit \| commitdiff \| tree
2013-01-13	Mark Abraham	Clarified some comments & warnings about thread pinning	commit \| commitdiff \| tree
2013-01-13	Roland Schulz	Merge "prepared the nbnxn code for non-x86 SIMD" into...	commit \| commitdiff \| tree
2013-01-13	Mark Abraham	Merge "Added basic CPU topology information to cpuid...	commit \| commitdiff \| tree
2013-01-12	Berk Hess	prepared the nbnxn code for non-x86 SIMD	commit \| commitdiff \| tree
2013-01-12	Christoph Junghans	Merge "Added missing export" into release-4-6	commit \| commitdiff \| tree
2013-01-11	Erik Lindahl	Merge "made SHAKE work again with particle decompostion...	commit \| commitdiff \| tree
2013-01-11	Roland Schulz	Merge "time the GPU force clearing async launch overhead...	commit \| commitdiff \| tree
2013-01-11	Christoph Junghans	Merge "console and log output improvements" into release-4-6	commit \| commitdiff \| tree
2013-01-11	Christoph Junghans	Merge "Fix CUDA being quiet and mark all CUDA_* as...	commit \| commitdiff \| tree
2013-01-11	Erik Lindahl	Added basic CPU topology information to cpuid code	commit \| commitdiff \| tree
2013-01-11	Erik Lindahl	Merge "fixed nbnxn no LJ comb.rule AVX256 PME kernel...	commit \| commitdiff \| tree
2013-01-11	Roland Schulz	Merge "Handle compiler flags more flexibly" into release-4-6	commit \| commitdiff \| tree
2013-01-11	Christoph Junghans	Merge "Remove incorrect assert added by 05f9a740" into...	commit \| commitdiff \| tree
2013-01-10	Berk Hess	fixed nbnxn no LJ comb.rule AVX256 PME kernel	commit \| commitdiff \| tree
2013-01-10	Erik Lindahl	Fixed flop-accounting for periodic improper dihedrals	commit \| commitdiff \| tree
2013-01-10	Mark Abraham	Merge "Revert default rlist/rvdw/rcoulomb to valid...	commit \| commitdiff \| tree
2013-01-10	Mark Abraham	Merge "fixed bug with Verlet + DD + bonded atom communicatio...	commit \| commitdiff \| tree
2013-01-10	Roland Schulz	Handle compiler flags more flexibly	commit \| commitdiff \| tree
2013-01-10	Erik Lindahl	Disallow the use of Clang to compile AVX_128_FMA	commit \| commitdiff \| tree
2013-01-10	Roland Schulz	Merge "Move Windows shared/static options to later...	commit \| commitdiff \| tree
2013-01-10	Roland Schulz	Merge "Remove workaround" into release-4-6	commit \| commitdiff \| tree
2013-01-10	Roland Schulz	Move Windows shared/static options to later point	commit \| commitdiff \| tree
2013-01-10	Roland Schulz	Remove workaround	commit \| commitdiff \| tree
2013-01-10	Erik Lindahl	Remove broken g_dih tool	commit \| commitdiff \| tree
2013-01-10	Mark Abraham	Merge "Fixes SSE/AVX compilation under Windows" into...	commit \| commitdiff \| tree
2013-01-09	Erik Lindahl	Merge "Corrected gmxcheck output for Gromos96 bonds...	commit \| commitdiff \| tree
2013-01-09	Roland Schulz	Merge "Added work-around for gcc bug in AVX intrinsincs...	commit \| commitdiff \| tree
2013-01-09	Roland Schulz	Merge "Add check to remove zero Charmm dihedrals" into...	commit \| commitdiff \| tree
2013-01-09	Roland Schulz	Merge "[tools] g_sans - add trajectory avereging" into...	commit \| commitdiff \| tree
2013-01-08	Erik Lindahl	Add check to remove zero Charmm dihedrals	commit \| commitdiff \| tree
2013-01-08	Erik Lindahl	Do not always add -msse2 to release flags for icc	commit \| commitdiff \| tree
2013-01-08	Roland Schulz	Merge "Reduce use of monolithic sets of compiler flags...	commit \| commitdiff \| tree
2013-01-07	Roland Schulz	Merge "fixed nbnxn AVX-256 Ewald table pointer alignment...	commit \| commitdiff \| tree
2013-01-07	Mark Abraham	Reduce use of monolithic sets of compiler flags	commit \| commitdiff \| tree
2013-01-07	Roland Schulz	Merge "cmake: remove double-negative quotes logic"...	commit \| commitdiff \| tree
2013-01-07	Roland Schulz	Merge "Print out atom numbers in g_rmsf" into release...	commit \| commitdiff \| tree
2013-01-07	Berk Hess	fixed nbnxn AVX-256 Ewald table pointer alignment	commit \| commitdiff \| tree
2013-01-07	Roland Schulz	Merge "Ignore bool cast warning for MSVC and C++" into...	commit \| commitdiff \| tree
2013-01-07	David van der Spoel	Merge "Removed reference to nonexistent file in g_helix...	commit \| commitdiff \| tree
2013-01-07	Roland Schulz	Merge "improved reporting of failed affinity setting...	commit \| commitdiff \| tree
2013-01-07	Roland Schulz	Merge "Fixed format error in online manual." into release-4-6	commit \| commitdiff \| tree
2013-01-07	Roland Schulz	Merge "Fixed a bug that with multiple exchanges" into...	commit \| commitdiff \| tree
2013-01-07	Roland Schulz	Merge "Essential dynamics: fixed restarts when ED group...	commit \| commitdiff \| tree
2013-01-07	Roland Schulz	Merge "minor speed-up and code clean-up in nbnxn kernels...	commit \| commitdiff \| tree
2013-01-07	Christoph Junghans	Merge "Make gmx_cpuid.h self-standing." into release-4-6	commit \| commitdiff \| tree
2013-01-04	Teemu Murtola	Merge "Minor fixes to g_angle help description." into...	commit \| commitdiff \| tree
2013-01-04	Mark Abraham	Set CMake module search path at a better time	commit \| commitdiff \| tree
2013-01-04	Teemu Murtola	Merge "add an option to not build the template" into...	commit \| commitdiff \| tree
2013-01-04	Teemu Murtola	Merge "Add missing defines to PKG_CFLAGS" into release-4-6	commit \| commitdiff \| tree
2013-01-04	Teemu Murtola	Merge "Fixed error message for zwitterion residues...	commit \| commitdiff \| tree
2013-01-03	Christoph Junghans	add an option to not build the template	commit \| commitdiff \| tree
2013-01-03	Christoph Junghans	Add missing defines to PKG_CFLAGS	commit \| commitdiff \| tree
2013-01-03	Roland Schulz	Merge "Fixed GMXRC so we are not polluting standard...	commit \| commitdiff \| tree
2013-01-03	Christoph Junghans	Merge "Remove non-functional PowerPC invsqrt." into...	commit \| commitdiff \| tree
2012-12-30	Erik Lindahl	Merge "Thread-MPI fixes for i386 llvm & simplification...	commit \| commitdiff \| tree
2012-12-22	Alexey Shvetsov	[tools] g_sans - add trajectory avereging	commit \| commitdiff \| tree
2012-12-22	Mark Abraham	New beta release: 4.6-beta3	commit \| commitdiff \| tree
2012-12-22	Christoph Junghans	cmake: mark FFTW_HAVE_{SIMD,AVX} as advanced	commit \| commitdiff \| tree
2012-12-22	Roland Schulz	Add missing visibility exports	commit \| commitdiff \| tree
2012-12-21	Christoph Junghans	Merge "Remove non-functional compiler override for...	commit \| commitdiff \| tree
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