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Fixes #1238 g_hydorder does not call set_pbc.
[alexxy/gromacs.git] / include /
2013-04-29 Mark AbrahamMerge "Update linking to MKL and document same" into... tree | commitdiff
2013-04-29 Mark AbrahamMerge "general SIMD acceleration for angles+dihedrals... tree | commitdiff
2013-04-29 Mark AbrahamMerge "PME load balancing now checks for PME grid restr... tree | commitdiff
2013-04-29 Berk Hessgeneral SIMD acceleration for angles+dihedrals tree | commitdiff
2013-04-29 Mark AbrahamMerge "Fixing a problem with dh/dl 1-4 interactions... tree | commitdiff
2013-04-26 Mark AbrahamMerge "CUDA PME kernels with analytical Ewald correctio... tree | commitdiff
2013-04-26 Berk HessPME load balancing now checks for PME grid restrictions tree | commitdiff
2013-04-26 Mark AbrahamMerge "improved load balancing with Verlet cut-off... tree | commitdiff
2013-04-26 Christoph JunghansMerge "v-rescale works with tau-t >= 0" into release-4-6 tree | commitdiff
2013-04-25 Mark AbrahamMerge "Merge branch 'release-4-5-patches'" into release-4-6 tree | commitdiff
2013-04-22 Mark AbrahamMerge "Use git snapshots of the tests if are on git... tree | commitdiff
2013-04-19 Teemu MurtolaMerge branch 'release-4-5-patches' tree | commitdiff
2013-04-18 Berk Hesschanged mdrun -nsteps to gmx_large_int_t tree | commitdiff
2013-04-16 David van der SpoelMerge "corrected grompp rvdw charge-group radii check... tree | commitdiff
2013-04-13 David van der SpoelMerge "added mdrun check for Verlet+perturbed atoms... tree | commitdiff
2013-04-12 Mark AbrahamMerge "removed x86 specifics from nbnxn SIMD kernels... tree | commitdiff
2013-03-27 Berk Hessremoved x86 specifics from nbnxn SIMD kernels tree | commitdiff
2013-03-26 Roland SchulzMerge release-4-5-patches into release-4-6 tree | commitdiff
2013-02-20 Mark AbrahamMerge release-4-5-patches into release-4-6 tree | commitdiff
2013-02-15 Mark AbrahamMerge "Minor fixes to Verlet kernels" into release-4-6 tree | commitdiff
2013-02-15 Mark AbrahamMerge "Re-generated group kernels" into release-4-6 tree | commitdiff
2013-02-15 Mark AbrahamMerge "Unwinds flag dependencies in g_order." into... tree | commitdiff
2013-02-15 Mark AbrahamMerge "use legacy CUDA non-bonded kernels only on Fermi... tree | commitdiff
2013-02-15 Mark AbrahamMerge "More descriptive Verlet kernel macro parameter... tree | commitdiff
2013-02-15 Mark AbrahamMinor fixes to Verlet kernels tree | commitdiff
2013-02-15 Mark AbrahamMerge "Fix and add Verlet kernel error messages" into... tree | commitdiff
2013-02-13 Sander PronkMerge "Fix code bug with thread-MPI on PowerPC with... tree | commitdiff
2013-02-13 Roland SchulzMerge "improve setup of multiple tf tables" into releas... tree | commitdiff
2013-02-13 Mark AbrahamFix code bug with thread-MPI on PowerPC with xlc tree | commitdiff
2013-02-13 Roland SchulzMerge "Updated FindGSL.cmake to version written by... tree | commitdiff
2013-02-12 Mark AbrahamMerge "PME-only counters are now reset with -maxh ... tree | commitdiff
2013-02-12 Mark AbrahamMerge "fixed bug with sd integrator and OpenMP threadin... tree | commitdiff
2013-02-09 Roland SchulzMerge "Typo fix" into release-4-6 tree | commitdiff
2013-02-08 Mark AbrahamMerge "added back cuda.h includes to fix missing CUDA_V... tree | commitdiff
2013-02-08 Mark AbrahamMerge "Fixed flop counting for generic cg/adress kernel... tree | commitdiff
2013-02-02 Christoph JunghansFixed flop counting for generic cg/adress kernels tree | commitdiff
2013-02-01 Berk HessPME-only counters are now reset with -maxh -resethway tree | commitdiff
2013-01-22 Mark AbrahamMerge "added missing cleanup of some nbnxn_cuda data... tree | commitdiff
2013-01-18 Roland SchulzMerge release-4-5-patches into release-4-6 tree | commitdiff
2013-01-18 Roland SchulzCode beautification with uncrustify tree | commitdiff
2013-01-18 Berk Hessthread affinity now uses some topology information tree | commitdiff
2013-01-18 Mark AbrahamFixing copyright issues and code contributors tree | commitdiff
2013-01-17 Mark AbrahamMerge "Remove unnecessary ICC flags affecting performan... tree | commitdiff
2013-01-17 Mark AbrahamMerge "improved CUDA kernel performance by pre-loading... tree | commitdiff
2013-01-17 Christoph JunghansMerge "Added note about make_edi and flooding in ED... tree | commitdiff
2013-01-17 Christoph JunghansMerge "use the compiler version provided by CMake ... tree | commitdiff
2013-01-17 Roland SchulzMerge "Merge branch 'release-4-5-patches' into release... tree | commitdiff
2013-01-17 Mark AbrahamMerge branch 'release-4-5-patches' into release-4-6 tree | commitdiff
2013-01-17 Christoph JunghansMerge "note the reason for auto-disabling GPU support... tree | commitdiff
2013-01-17 Mark AbrahamMerge "Added mdp option 'calc-lambda-neighbors'." into... tree | commitdiff
2013-01-17 Roland SchulzMerge "clarify wording of GPU driver-related notes... tree | commitdiff
2013-01-17 Roland SchulzMerge "Added check for valid wall_atomtype in .mdp... tree | commitdiff
2013-01-17 Sander PronkAdded mdp option 'calc-lambda-neighbors'. tree | commitdiff
2013-01-17 Sander PronkFixes to free energy code, output & g_bar compatibility. tree | commitdiff
2013-01-17 Mark AbrahamFinally move OpenMM to contrib tree | commitdiff
2013-01-17 Szilard Palldon't use polling with new driver tree | commitdiff
2013-01-17 Christoph Junghansclean up fortran name mangling tree | commitdiff
2013-01-17 Berk Hessmade PME load balancing + DD DLB more efficient tree | commitdiff
2013-01-16 Mark AbrahamQuiet stderr output, particularly for multi-simulations tree | commitdiff
2013-01-16 Michael Shirtsfixes issues with pressure control and infrequent evalu... tree | commitdiff
2013-01-15 Mark AbrahamMerge "Hid nbnxn kernel names behind a lookup function... tree | commitdiff
2013-01-15 Christoph JunghansMerge "Added fatal error for constraints + L-BFGS minim... tree | commitdiff
2013-01-15 Sander PronkMerge "Continuation of documentation for expanded ensem... tree | commitdiff
2013-01-14 Mark AbrahamHid nbnxn kernel names behind a lookup function tree | commitdiff
2013-01-14 Carsten KutznerEssential dynamics output file now in .xvg format tree | commitdiff
2013-01-14 David van der SpoelMerge "Fixing trjconv -sub" into release-4-5-patches tree | commitdiff
2013-01-14 David van der SpoelMerge "Noting that and why gmxdump -s -sys is broken... tree | commitdiff
2013-01-13 Mark AbrahamUpdated code checks with distance restraints tree | commitdiff
2013-01-13 Christoph JunghansMerge "Remove unused bfunc.h." into release-4-6 tree | commitdiff
2013-01-13 Christoph JunghansMerge "Manage BlueGene/Q configuration" into release-4-6 tree | commitdiff
2013-01-13 Christoph JunghansMerge "Re-organize BlueGene toolchain files" into relea... tree | commitdiff
2013-01-13 Christoph JunghansMerge "Changed defaults for building shared libraries... tree | commitdiff
2013-01-13 Roland SchulzMerge "prepared the nbnxn code for non-x86 SIMD" into... tree | commitdiff
2013-01-13 Mark AbrahamMerge "Added basic CPU topology information to cpuid... tree | commitdiff
2013-01-12 Berk Hessprepared the nbnxn code for non-x86 SIMD tree | commitdiff
2013-01-12 Christoph JunghansMerge "Added missing export" into release-4-6 tree | commitdiff
2013-01-11 Erik LindahlMerge "made SHAKE work again with particle decompostion... tree | commitdiff
2013-01-11 Christoph JunghansMerge "Fix CUDA being quiet and mark all CUDA_* as... tree | commitdiff
2013-01-11 Erik LindahlAdded basic CPU topology information to cpuid code tree | commitdiff
2013-01-11 Roland SchulzMerge release-4-5-patches into release-4-6 tree | commitdiff
2013-01-11 Berk Hessmade SHAKE work again with particle decompostion tree | commitdiff
2013-01-11 Roland SchulzAdded missing export tree | commitdiff
2013-01-10 Mark AbrahamMerge "Revert default rlist/rvdw/rcoulomb to valid... tree | commitdiff
2013-01-10 Mark AbrahamMerge "fixed bug with Verlet + DD + bonded atom communi... tree | commitdiff
2013-01-10 Roland SchulzMerge "Move Windows shared/static options to later... tree | commitdiff
2013-01-10 Roland SchulzMerge "Remove workaround" into release-4-6 tree | commitdiff
2013-01-10 Erik LindahlRemove broken g_dih tool tree | commitdiff
2013-01-10 Mark AbrahamMerge "Fixes SSE/AVX compilation under Windows" into... tree | commitdiff
2013-01-10 Erik LindahlFixes SSE/AVX compilation under Windows tree | commitdiff
2013-01-09 Erik LindahlMerge "Corrected gmxcheck output for Gromos96 bonds... tree | commitdiff
2013-01-09 Roland SchulzMerge "Added work-around for gcc bug in AVX intrinsincs... tree | commitdiff
2013-01-09 Roland SchulzMerge "[tools] g_sans - add trajectory avereging" into... tree | commitdiff
2013-01-09 Erik LindahlAdded work-around for gcc bug in AVX intrinsincs formal... tree | commitdiff
2013-01-07 Roland SchulzMerge "cmake: remove double-negative quotes logic"... tree | commitdiff
2013-01-07 Roland SchulzMerge "Ignore bool cast warning for MSVC and C++" into... tree | commitdiff
2013-01-07 David van der SpoelMerge "Removed reference to nonexistent file in g_helix... tree | commitdiff
2013-01-07 Roland SchulzMerge "improved reporting of failed affinity setting... tree | commitdiff
2013-01-07 Roland SchulzMerge "Fixed format error in online manual." into relea... tree | commitdiff
2013-01-07 Roland SchulzMerge "Fixed a bug that with multiple exchanges" into... tree | commitdiff
2013-01-07 Roland SchulzMerge "Essential dynamics: fixed restarts when ED group... tree | commitdiff
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