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Merge "Removes unused files" into release-4-6
[alexxy/gromacs.git] / src /
2012-11-16 David van der SpoelMerge "Removes unused files" into release-4-6 tree | commitdiff
2012-11-16 Erik LindahlSSE2 single-precision kernels tree | commitdiff
2012-11-16 Roland SchulzRemoves unused files tree | commitdiff
2012-11-16 Berk Hessreduced the cost of the nbnxn OpenMP nb-force reduction tree | commitdiff
2012-11-15 Christoph JunghansMerge "Test that compiling and linking of AVX works... tree | commitdiff
2012-11-15 Berk Hessfixed incorrect 1-4 energies with OpenMP + energy groups tree | commitdiff
2012-11-14 Berk Hessfixed nbnxn x86 SIMD non-bonded performance regression tree | commitdiff
2012-11-13 Erik LindahlRemoved some unnecessary instructions, and fixed a... tree | commitdiff
2012-11-12 Roland SchulzMerge "Backport ThreadMPI.cmake version from master... tree | commitdiff
2012-11-12 Roland SchulzMerge "nbnxn CPU force buffer reduction now uses SIMD... tree | commitdiff
2012-11-12 Berk Hessnbnxn CPU force buffer reduction now uses SIMD tree | commitdiff
2012-11-12 David van der SpoelFixes #1020 options in g_enemat tree | commitdiff
2012-11-11 Roland SchulzFix FMA4 compile for GCC and MSVC tree | commitdiff
2012-11-10 Roland SchulzMerge "Fix broken manual formatting" into release-4-6 tree | commitdiff
2012-11-10 Teemu MurtolaRemove obsolete GMX_THREAD_SHM_FDECOMP. tree | commitdiff
2012-11-09 Roland SchulzFix component for libcudart tree | commitdiff
2012-11-09 Erik LindahlRemoved old (now unused) bluegene kernels. tree | commitdiff
2012-11-09 Erik LindahlRemoved unused old kernel generator tree | commitdiff
2012-11-09 Erik LindahlRemoval of stale Fortran/Power6 kernels tree | commitdiff
2012-11-09 Erik LindahlRemoval of stale Fortran kernels tree | commitdiff
2012-11-09 KassonMerge "only use CPU_COUNT if it's available" into relea... tree | commitdiff
2012-11-09 Szilard Pallonly use CPU_COUNT if it's available tree | commitdiff
2012-11-08 Roland SchulzMerge "Fixed bug in the new switch-modified interaction... tree | commitdiff
2012-11-08 Christoph JunghansMerge "auto-set nvcc host compiler with FindMPI detecti... tree | commitdiff
2012-11-08 Christoph JunghansMerge "Relocated logic of simple-vs-GPU Ewald table... tree | commitdiff
2012-11-08 Erik LindahlFixed bug in the new switch-modified interactions in... tree | commitdiff
2012-11-08 Erik LindahlAllow rcoulomb=rlistlong for PME with nstcalclr=1 tree | commitdiff
2012-11-08 Mark AbrahamRelocated logic of simple-vs-GPU Ewald table generation tree | commitdiff
2012-11-08 Erik LindahlInfrastructure for new group kernels, and new C kernels tree | commitdiff
2012-11-07 Christoph JunghansObey DSO standard tree | commitdiff
2012-11-07 Szilard Palldetect externally set CPU affinity tree | commitdiff
2012-11-06 Roland SchulzMerge "Clarification of mdp_opt, add nstexpand defaults... tree | commitdiff
2012-11-06 Berk HessMerge "Add option to install libcudart" into release-4-6 tree | commitdiff
2012-11-06 Michael ShirtsClarification of mdp_opt, add nstexpand defaults &... tree | commitdiff
2012-11-06 Berk HessMerge "don't execute any mpi_info/mpiname in the path... tree | commitdiff
2012-11-05 Berk HessMerge "updated several things related with OpenMP threa... tree | commitdiff
2012-11-05 Roland SchulzAdd option to install libcudart tree | commitdiff
2012-11-05 Berk Hessupdated several things related with OpenMP thread count tree | commitdiff
2012-11-03 Roland SchulzMerge release-4-5-patches into release-4-6 tree | commitdiff
2012-10-31 Szilard Pallfix internal/external OpenMP thread affinity clash tree | commitdiff
2012-10-27 Christoph JunghansMerge "Fix large file support" into release-4-5-patches tree | commitdiff
2012-10-26 Roland SchulzFix usage of CMAKE_REQUIRED_* tree | commitdiff
2012-10-26 Roland SchulzMerge "fixed incorrect PME load balancing limitation... tree | commitdiff
2012-10-26 Christoph JunghansMerge "enable GMX_PREFER_STATIC_LIBS CMake option on... tree | commitdiff
2012-10-26 Christoph JunghansMerge "fix false positive gcc 4.7 warning in libxdrf... tree | commitdiff
2012-10-26 David van der SpoelMerge "Fixed Pulp Fiction quote" into release-4-5-patches tree | commitdiff
2012-10-26 Berk Hessfixed incorrect PME load balancing limitation tree | commitdiff
2012-10-26 Roland SchulzMerge "set the default for nstdhdl to 100" into release-4-6 tree | commitdiff
2012-10-26 Berk Hessset the default for nstdhdl to 100 tree | commitdiff
2012-10-26 Berk Hessfixed incorrect group energies with nbnxn CPU kernels tree | commitdiff
2012-10-25 Roland SchulzMerge "fix CUDA non-bonded kernel pointer assignment... tree | commitdiff
2012-10-25 Szilárd Pállfix false positive gcc 4.7 warning in libxdrf tree | commitdiff
2012-10-23 Berk Hessfixed bondfree.c thread safety with free energy tree | commitdiff
2012-10-23 Roland SchulzMerge "moved part of nbnxn_search.c to nbnxn_atomdata... tree | commitdiff
2012-10-23 Roland SchulzMerge "fixed incorrect LJ energy with GPU and PME load... tree | commitdiff
2012-10-23 Berk Hessmoved part of nbnxn_search.c to nbnxn_atomdata.c tree | commitdiff
2012-10-23 Roland SchulzReplace sprintf with snprintf to make safe tree | commitdiff
2012-10-23 Berk Hessfixed incorrect LJ energy with GPU and PME load balancing tree | commitdiff
2012-10-23 Roland SchulzMerge "added OpenMP parallelization for virtual sites... tree | commitdiff
2012-10-22 Berk Hessadded OpenMP parallelization for virtual sites tree | commitdiff
2012-10-22 Szilard Pallfix CUDA non-bonded kernel pointer assignment tree | commitdiff
2012-10-22 Roland SchulzFix minor OpenMP issue for md-vv update tree | commitdiff
2012-10-22 Roland SchulzFix clang 3.2 unintialized variable warnings tree | commitdiff
2012-10-21 David van der SpoelFixed Bug #593 about memory hole in trjcat. tree | commitdiff
2012-10-19 Roland SchulzMerge "[tools] Allow g_dist to use default index group... tree | commitdiff
2012-10-19 KassonMerge "renamed constraint variables rmdr to vir_r_m_dr... tree | commitdiff
2012-10-19 Roland SchulzMerge "renamed pme_switch... to pme_loadbal..." into... tree | commitdiff
2012-10-18 Roland SchulzMerge "Added thread affinity API to thread_mpi." into... tree | commitdiff
2012-10-18 Berk Hessrenamed constraint variables rmdr to vir_r_m_dr tree | commitdiff
2012-10-18 Berk Hessadded OpenMP parallelization to LINCS projection tree | commitdiff
2012-10-18 Alexey Shvetsov[tools] Allow g_dist to use default index group tree | commitdiff
2012-10-17 Berk Hessrenamed pme_switch... to pme_loadbal... tree | commitdiff
2012-10-17 KassonMerge "Make Gromacs compile without C++ compiler" into... tree | commitdiff
2012-10-16 Roland SchulzMerge "made pair-search with GPU 20% faster" into relea... tree | commitdiff
2012-10-16 Carsten KutznerMade g_tune_pme read (ns/day) from 4.6 md.log output... tree | commitdiff
2012-10-16 Carsten KutznerRemoved obsolete hint in error message. tree | commitdiff
2012-10-16 Berk Hessmade pair-search with GPU 20% faster tree | commitdiff
2012-10-15 Sander PronkAdded thread affinity API to thread_mpi. tree | commitdiff
2012-10-13 David van der SpoelMerge "Fixing issues with replica exchange" into releas... tree | commitdiff
2012-10-13 Mark AbrahamFixed install-xxx functionality broken in 9628e27d tree | commitdiff
2012-10-12 Berk HessMerge "Fix illegal barrier in worksharing" into release-4-6 tree | commitdiff
2012-10-12 Roland SchulzFix illegal barrier in worksharing tree | commitdiff
2012-10-12 Michael ShirtsFixing issues with replica exchange tree | commitdiff
2012-10-08 Berk Hessmade non-bonded potential shifts mdp options tree | commitdiff
2012-10-06 Roland SchulzFix incorrect free tree | commitdiff
2012-10-04 David van der SpoelSet return value to FALSE (0) in estimate_dt in libxdrf.c tree | commitdiff
2012-10-04 Berk Hessfixed backward compatibility of tpr files with dihres tree | commitdiff
2012-10-03 Sander PronkAdded two #defines that state the gromacs API + program... tree | commitdiff
2012-10-03 Berk Hessimproved the energy conservation with SETTLE tree | commitdiff
2012-10-02 Szilard Palladded Verlet scheme and NxN non-bonded functionality tree | commitdiff
2012-10-01 Roland SchulzMerge release-4-5-patches into release-4-6 tree | commitdiff
2012-09-30 Roland SchulzFix problems found by cppcheck 1.56 tree | commitdiff
2012-09-27 Christoph JunghansMerge "Fixed an off-by-one error in atom counting in... tree | commitdiff
2012-09-27 Teemu MurtolaMerge "Fix insolidangle selections near poles." into... tree | commitdiff
2012-09-27 Sander PronkFixed an off-by-one error in atom counting in gmx_dist. tree | commitdiff
2012-09-25 Christoph JunghansMerge "Fix REMD use of gmx_large_int_t for #steps varia... tree | commitdiff
2012-09-24 Teemu MurtolaAdd pdbname selection keyword. tree | commitdiff
2012-09-24 KassonMerge "Fixed segfault with FE code for older tpr files... tree | commitdiff
2012-09-24 Mark AbrahamFix REMD use of gmx_large_int_t for #steps variable tree | commitdiff
2012-09-18 Teemu MurtolaFixes for numeric and position selection variables. tree | commitdiff
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