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Merge "Added grompp warning" into release-4-6
[alexxy/gromacs.git] / include /
2012-11-17 Roland SchulzMerge "Removing Zn and Ar non-OPLS atom types" into... tree | commitdiff
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
2012-11-11 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
2012-11-08 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 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
2012-11-06 Berk HessMerge "Add option to install libcudart" into release-4-6 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
2012-11-03 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
2012-10-25 Roland SchulzMerge "fix CUDA non-bonded kernel pointer assignment... tree | commitdiff
2012-10-23 Roland SchulzMerge "moved part of nbnxn_search.c to nbnxn_atomdata... tree | commitdiff
2012-10-23 Berk Hessmoved part of nbnxn_search.c to nbnxn_atomdata.c 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
2012-10-19 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
2012-10-17 Berk Hessrenamed pme_switch... to pme_loadbal... tree | commitdiff
2012-10-17 KassonMerge "Make Gromacs compile without C++ compiler" into... tree | commitdiff
2012-10-15 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
2012-10-12 Berk HessMerge "Fix illegal barrier in worksharing" into release-4-6 tree | commitdiff
2012-10-10 Christoph Junghansfixed header for 3rd party apps tree | commitdiff
2012-10-08 Berk Hessmade non-bonded potential shifts mdp options tree | commitdiff
2012-10-04 David van der SpoelSet return value to FALSE (0) in estimate_dt in libxdrf.c tree | commitdiff
2012-10-03 Sander PronkAdded two #defines that state the gromacs API + program... 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
2012-09-27 Teemu MurtolaMerge "Fix insolidangle selections near poles." into... 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
2012-09-13 Sander PronkFixed a deadlock in tMPI_Comm_free() tree | commitdiff
2012-09-10 Roland SchulzMerge "Update use of CPack components and add install... tree | commitdiff
2012-09-07 Christoph JunghansMerge "Fix VMD plugins on Windows" into release-4-6 tree | commitdiff
2012-09-06 Roland SchulzMerge "Fixed .g96 trajectory reading." into release... tree | commitdiff
2012-09-04 Christoph JunghansMerge "Fixes too many backup files for *.nroff files... tree | commitdiff
2012-09-03 Sander PronkFixed .g96 trajectory reading. tree | commitdiff
2012-09-03 Szilard PallMerge branch 'release-4-5-patches' into release-4-6 tree | commitdiff
2012-08-23 Sander PronkNewer version of thread_mpi, with various fixes, includ... tree | commitdiff
2012-08-20 Christoph JunghansMerge "Fixing of things associated with aminoacid.rtp... tree | commitdiff
2012-08-11 Mark AbrahamFixing of things associated with aminoacid.rtp header tree | commitdiff
2012-08-07 Christoph JunghansMerge "fixed incorrect TPI results with dynamic box... tree | commitdiff
2012-08-07 Carsten KutznerFixed essential dynamics / flooding group PBC serial tree | commitdiff
2012-07-16 Christoph JunghansMerge "Enforced rotation: PBC/restart fix" into release-4-6 tree | commitdiff
2012-07-15 David van der SpoelMerge "Autogenerate gromacs.7 from programs.txt" into... tree | commitdiff
2012-07-13 Roland SchulzMerge release-4.5-patches into HEAD tree | commitdiff
2012-06-26 Roland SchulzMerge "Fix gmx_fatal for serial compilation" into relea... tree | commitdiff
2012-06-25 Szilard Pallintroduce gmx_omp wrapper for the OpenMP API tree | commitdiff
2012-06-24 Michael ShirtsMerge "Fix mdp_opt formatting of expanded ensemble... tree | commitdiff
2012-06-22 Christoph JunghansMerge "Simple patch for openmm_wrapper.cpp" into releas... tree | commitdiff
2012-06-19 Mark AbrahamMerge "Fixes #882 - looping bug in trxio.c" into relea... tree | commitdiff
2012-06-16 Erik LindahlNew CPU detection & AVX/SSE code, removed raw assembly... tree | commitdiff
2012-06-16 David van der SpoelFixes #882 - looping bug in trxio.c tree | commitdiff
2012-06-04 Michael ShirtsMerging in free energy, exp. ensemble, & andersen t... tree | commitdiff
2012-06-01 Roland SchulzMerge release-4-5-patches into release-4-6 tree | commitdiff
2012-06-01 Christoph JunghansMerge "Use External BLAS/LAPACK by default" into releas... tree | commitdiff
2012-06-01 Christoph JunghansMerge "Replace our fftpack version with Numpy's version... tree | commitdiff
2012-05-29 Sander PronkRemoved dependency on windows.h through commrec.h,... tree | commitdiff
2012-05-29 Christoph JunghansMerge "Revised g_tune_pme" into release-4-6 tree | commitdiff
2012-05-27 David van der SpoelMerge "added explicit sqrtf to the float version of... tree | commitdiff
2012-05-25 Roland SchulzMade all vmdio headers private tree | commitdiff
2012-05-25 David van der SpoelMerge "grompp now retains the order of bonds converted... tree | commitdiff
2012-05-25 Christoph JunghansMerge "Fix that sigaction mask wasn't zeroed" into... tree | commitdiff
2012-05-24 Berk Hessnow mdrun always initializes MPI tree | commitdiff
2012-05-24 Teemu MurtolaMerge "Code cleanup to avoid name collisions" into... tree | commitdiff
2012-05-23 Roland SchulzCode cleanup to avoid name collisions tree | commitdiff
2012-05-22 Szilard Palladded explicit sqrtf to the float version of norm tree | commitdiff
2012-05-18 Roland SchulzRename BOOL to EBOOL tree | commitdiff
2012-05-17 Teemu MurtolaMerge "Fixing more clang warnings" into release-4-6 tree | commitdiff
2012-05-17 Maarten Wolfmv membed.h from include to src/kernel tree | commitdiff
2012-05-09 Christoph JunghansMerge "Backporting "moving membed to mdrun" from master... tree | commitdiff
2012-05-08 Maarten WolfBackporting "moving membed to mdrun" from master tree | commitdiff
2012-05-08 Roland SchulzFixing more Clang warnings tree | commitdiff
2012-05-07 Teemu MurtolaMerge branch 'gerrit/release-4-5-patches' into release-4-6 tree | commitdiff
2012-05-02 Teemu MurtolaRemove #include <config.h> from pull_rotation.h. tree | commitdiff
2012-04-29 Roland SchulzMerge release-4-5-patches into release-4-6 tree | commitdiff
2012-04-29 David van der SpoelMerge "added support for graphs not starting at 0"... tree | commitdiff
2012-04-29 Roland SchulzMerge release-4-5-patches into release-4-6 tree | commitdiff
2012-04-26 Berk Hessadded support for graphs not starting at 0 tree | commitdiff
2012-04-26 Berk HessMerge "Merge release-4-5-patches into release-4-6"... tree | commitdiff
2012-04-26 Berk HessMerge release-4-5-patches into release-4-6 tree | commitdiff
2012-04-26 Szilárd PállMerge "fixed initial COM motion removal with multiple... tree | commitdiff
2012-04-26 David van der SpoelMerge "Various improvements to shell code" into release... tree | commitdiff
2012-04-25 Berk Hessreplaced PPPM by P3M-AD: a few lines in pme.c tree | commitdiff
2012-04-24 Berk HessMerge "allow -append to overrule unsupported file locki... tree | commitdiff
2012-04-23 Christoph JunghansMerge "compiler flag fixes" into release-4-6 tree | commitdiff
2012-04-22 Roland SchulzResolving a couple of clang analyzer warnings tree | commitdiff
2012-04-22 Roland SchulzMerge "enable command line option cheking in mdrun... tree | commitdiff
2012-04-18 Berk Hessallow -append to overrule unsupported file locking tree | commitdiff
2012-04-17 Mark AbrahamAdded Windows-specific #defines, and use them tree | commitdiff
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