alexxy/gromacs.git
2013-02-13 Roland SchulzMerge release-4-6 into master
2013-02-13 Roland SchulzCode beautification with uncrustify
2013-02-12 Mark AbrahamMerge "Remove duplicated clang section"
2013-02-12 Mark AbrahamMerge "Manual reformatting in preparation for uncrustify."
2013-02-12 Mark AbrahamMerge "Fix gmxcheck target"
2013-02-10 Teemu MurtolaManual reformatting in preparation for uncrustify.
2013-02-09 Roland SchulzMerge "Typo fix" into release-4-6
2013-02-09 Mark AbrahamTypo fix
2013-02-08 Roland SchulzRemove duplicated clang section
2013-02-08 Roland SchulzRemove dummy.cpp
2013-02-08 Mark AbrahamMerge "added back cuda.h includes to fix missing CUDA_V...
2013-02-08 Mark AbrahamMerge "Fixed flop counting for generic cg/adress kernel...
2013-02-08 Mark AbrahamMerge "cmake: fixed typo in template CMakeLists.txt...
2013-02-05 Christoph JunghansMerge "Documented what GMX_CPU_ACCELERATION really...
2013-02-05 Mark AbrahamMerge "improved load balancing on the GPU" into release-4-6
2013-02-05 Mark AbrahamDocumented what GMX_CPU_ACCELERATION really means
2013-02-05 Berk Hessimproved load balancing on the GPU
2013-02-04 Berk Hessfixed segv in init_forcerec with fr->hwinfo=NULL
2013-02-02 Christoph JunghansFixed flop counting for generic cg/adress kernels
2013-02-02 Christoph Junghanscmake: fixed typo in template CMakeLists.txt
2013-01-30 Roland SchulzFix gmxcheck target
2013-01-29 Sebastian FritschAdResS: fixes bug in the neighbour list routine
2013-01-25 Christoph Junghansfixed copyright of adress kernel
2013-01-25 Christoph JunghansMerge "Moved a few comments back into position" into...
2013-01-24 Szilard Palladded back cuda.h includes to fix missing CUDA_VERSION
2013-01-22 Mark AbrahamMerge "Illegal acceleration defaulted to QPX" into...
2013-01-22 Mark AbrahamMerge "Re-licenced FindGROMACS.cmake (was written by...
2013-01-22 Roland SchulzIllegal acceleration defaulted to QPX
2013-01-22 Mark AbrahamMerge "Fix TOUPPER usage" into release-4-6
2013-01-22 Mark AbrahamMerge "Updated html manual to 4.6" into release-4-6
2013-01-22 Mark AbrahamMerge "added missing cleanup of some nbnxn_cuda data...
2013-01-22 Roland SchulzFix TOUPPER usage
2013-01-22 Roland SchulzUpdated html manual to 4.6
2013-01-22 Carsten KutznerMoved a few comments back into position
2013-01-21 Christoph JunghansMerge "Set version info for 4.6.x release series" into...
2013-01-21 Roland SchulzMerge release-4-6 into master
2013-01-20 Roland SchulzMerge release-4-6 into master
2013-01-19 Christoph JunghansRe-licenced FindGROMACS.cmake (was written by me)
2013-01-19 Roland SchulzFix AVX double compile error
2013-01-18 Mark AbrahamSet version info for 4.6.x release series
2013-01-18 Mark AbrahamNew major release: 4.6
2013-01-18 Michael ShirtsAddendum for expanded ensemble options plus formatting...
2013-01-18 Roland SchulzMerge release-4-5-patches into release-4-6
2013-01-18 Roland SchulzFix typo
2013-01-18 Roland SchulzCode beautification with uncrustify
2013-01-18 Roland SchulzAdd colon after macro to help uncrustify
2013-01-18 Berk Hessthread affinity now uses some topology information
2013-01-18 Mark AbrahamFixing copyright issues and code contributors
2013-01-18 Erik LindahlMerge "remove unnecessary cmake messages" into release-4-6
2013-01-18 Erik LindahlMerge "fix OpenMP detection on Mac OS broken by a6fee0b...
2013-01-18 Roland SchulzFix reading of g96 title
2013-01-18 Szilard Pallremove unnecessary cmake messages
2013-01-18 Szilárd Pállfix OpenMP detection on Mac OS broken by a6fee0b
2013-01-17 Mark AbrahamUpdating the shell completion files
2013-01-17 Szilárd Pálladded missing cleanup of some nbnxn_cuda data
2013-01-17 Mark AbrahamGromacs install guide updates.
2013-01-17 Mark AbrahamMerge "Remove unnecessary ICC flags affecting performan...
2013-01-17 Mark AbrahamMerge "improved CUDA kernel performance by pre-loading...
2013-01-17 Christoph JunghansMerge "Added note about make_edi and flooding in ED...
2013-01-17 Christoph JunghansMerge "use the compiler version provided by CMake ...
2013-01-17 Roland SchulzMerge "Merge branch 'release-4-5-patches' into release...
2013-01-17 Szilárd PállMerge changes I930b316c,Iea4283e0,I103648f8 into releas...
2013-01-17 Roland SchulzRemove unnecessary ICC flags affecting performance
2013-01-17 Mark AbrahamMerge "Fix trjconv -sub with .trr files" into release...
2013-01-17 Mark AbrahamBlueGene/Q installation notes
2013-01-17 Mark AbrahamMerge branch 'release-4-5-patches' into release-4-6
2013-01-17 Christoph JunghansMerge "note the reason for auto-disabling GPU support...
2013-01-17 Mark AbrahamMerge "Added mdp option 'calc-lambda-neighbors'." into...
2013-01-17 Roland SchulzMerge "clarify wording of GPU driver-related notes...
2013-01-17 Roland SchulzMerge "Added check for valid wall_atomtype in .mdp...
2013-01-17 Mark AbrahamFix trjconv -sub with .trr files
2013-01-17 Berk Hessfixed SD+BD integration slowing down with OpenMP threads
2013-01-17 Roland SchulzRun regressiontests from build
2013-01-17 Berk Hessimproved CUDA kernel performance by pre-loading cj
2013-01-17 Sander PronkAdded mdp option 'calc-lambda-neighbors'.
2013-01-17 Sander PronkFixes to free energy code, output & g_bar compatibility.
2013-01-17 Carsten KutznerAdded note about make_edi and flooding in ED paragraph
2013-01-17 Szilárd Pálluse the compiler version provided by CMake >=2.8.9
2013-01-17 Szilárd Pállnote the reason for auto-disabling GPU support in CMake
2013-01-17 Szilárd Pállclarify wording of GPU driver-related notes
2013-01-17 Mark AbrahamFinally move OpenMM to contrib
2013-01-17 Roland SchulzFix confusing gmx_header_config.h include
2013-01-17 Szilard Palldon't use polling with new driver
2013-01-17 Christoph Junghansclean up fortran name mangling
2013-01-17 Berk Hessfixed nbnxn hybrid mode with OpenMP
2013-01-17 Berk Hessmade PME load balancing + DD DLB more efficient
2013-01-16 Carsten KutznerMade g_tune_pme work correctly again with thread-MPI...
2013-01-16 Roland SchulzDon't cache ${FFTW}_HAVE_(SIMD|AVX)
2013-01-16 Erik LindahlFixed GB interactions for release-4-6
2013-01-16 Berk Hesssplit off pick_nbnxn_resource from nbnxn_pick_nbnxn
2013-01-16 Mark AbrahamQuiet stderr output, particularly for multi-simulations
2013-01-16 Michael Shirtsfixes issues with pressure control and infrequent evalu...
2013-01-16 Christoph JunghansRemove debug statment
2013-01-15 Mark AbrahamAdded check for valid wall_atomtype in .mdp
2013-01-15 Roland SchulzMerge release-4-6 into master
2013-01-15 Roland SchulzFix missing replacement/typo
2013-01-15 Mark AbrahamMerge "Hid nbnxn kernel names behind a lookup function...
2013-01-15 Christoph JunghansMerge "Added fatal error for constraints + L-BFGS minim...
2013-01-15 Christoph JunghansMerge "disable OpenMP with all OS X gcc 4.2-based compi...
2013-01-15 Sander PronkMerge "Continuation of documentation for expanded ensem...
next