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Add one element to state rvec arrays
2015-12-16 Berk HessAdd one element to state rvec arrays
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2015-12-15 Erik LindahlC++ math function cleanup
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2015-12-15 Teemu MurtolaMove main.*, splitter.*, gmx_omp_nthreads.* to mdlib
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2015-12-15 Teemu MurtolaMove readinp.* and warninp.* to fileio/
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2015-12-15 Teemu MurtolaMove hardware detection to hardware/
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2015-12-15 Teemu MurtolaMove some mdrun code out of gmxlib/
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2015-12-12 Teemu MurtolaMove disre.* and orires.* to listed-forces/
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2015-12-12 Teemu MurtolaMove put_atoms_in_box_omp() to sim_util.*
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2015-12-12 Teemu MurtolaRemove topology -> fileio dependency
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2015-12-10 Mark AbrahamMerge branch 'origin/release-5-1'
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2015-12-08 Mark AbrahamMerge branch 'release-5-0' into release-5-1
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2015-12-08 Mark AbrahamFix Trotter integration
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2015-12-03 Mark AbrahamRemove mdrun -compact
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2015-12-03 Teemu MurtolaMove strdb.* to utility/
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2015-12-02 Berk HessMade t_inputrec const in PME load balancing
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2015-12-02 Mark AbrahamRemove twin-range scheme
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2015-11-30 Mark AbrahamRefactor hardware information management
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2015-11-25 Elton CarvalhoRotate Figure 8.2 in manual.
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2015-11-24 Mark AbrahamFix error in multi-sim communication
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2015-11-23 Mark AbrahamUpdate and expand pre-submit commit matrix
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2015-11-16 Mark AbrahamRemove t_adress
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2015-11-16 Mark AbrahamRemoved state_global from mdrun energy-summation
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2015-11-16 Mark AbrahamMerge branch release-5-1
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2015-11-15 Mark AbrahamRemove AdResS
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2015-11-11 Mark AbrahamMerge release-5-0 into release-5-1
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2015-11-10 Mark AbrahamBump patch version to prepare for 5.1.2
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2015-11-04 Mark AbrahamMerge branch release-5-1
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2015-11-04 Mark AbrahamEven less moving from unique_ptr
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2015-11-04 Mark AbrahamVersion 5.1.1
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2015-10-28 Mark AbrahamSuppress warnings when we have OpenCL 2.0 support
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2015-10-15 Szilárd PállAdd CUDA nvcc >=7.0 support
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2015-10-14 Mark AbrahamMerge release-5-0 into release-5-1
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2015-10-14 Mark AbrahamVersion bumps after release
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2015-10-14 Mark AbrahamSimplify genconf
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2015-10-14 Mark AbrahamVersion 5.0.7
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2015-10-13 Mark AbrahamMerge branch release-4-6 into release-5-0
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2015-10-13 Erik LindahlReplace GROMACS-specific math functions with C++11...
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2015-10-07 Mark AbrahamMerge branch release-5-1 into master
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2015-10-07 Mark AbrahamFixed FFTW detection status message location
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2015-10-05 Mark AbrahamMerge release-5-0 into release-5-1
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2015-10-02 Mark AbrahamTemporarily test on a machine with only two GPUs
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2015-09-28 Mark AbrahamEliminate use of typedefs.h in kernel C code
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2015-09-26 Mark AbrahamFix reaction-field warning message
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2015-09-22 Teemu MurtolaMove oenv.* to fileio/
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2015-09-16 Mark AbrahamRemove GMX_NOCHARGEGROUPS
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2015-09-16 Szilard PallFix OpenCL build
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2015-09-15 Mark AbrahamMerge branch release-5-1
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2015-09-10 David van der SpoelMoved content from mdrun.h to separate headers.
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2015-09-08 Teemu MurtolaReduce coupling between refdata and libxml2
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2015-09-03 Mark AbrahamNever operate on force array in .tpr
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2015-09-01 Teemu MurtolaBuild scripts for new releng
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2015-08-29 Teemu MurtolaRemove separate title parameter for read_tps_conf()
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2015-08-19 Mark AbrahamHarden FindSphinx.cmake
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2015-08-17 Mark AbrahamRemove infrastructure for gmx protonate
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2015-08-14 Mark AbrahamMerge branch release-5-1 into master
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2015-08-14 Mark AbrahamBump patch version to prepare for 5.1.1
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2015-08-14 Mark AbrahamVersion 5.1
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2015-08-14 Berk HessMake mdrun -nt work again
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2015-08-13 Mark AbrahamMake it easier to find selection help
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2015-08-12 Mark AbrahamAdd documentation for energygrps with GPUs
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2015-08-11 Mark AbrahamAbort if PME tuning is active and counters reset
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2015-08-08 Mark AbrahamMerge branch release-5-0 into release-5-1
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2015-08-08 Mark AbrahamFix docs of ftypes of dihedrals
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2015-08-04 Mark AbrahamMerge release-5-0 into release-5-1
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2015-08-03 Mark AbrahamFix possible linking of libxml2 to zlib
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2015-07-26 Mark AbrahamMerge branch release-5-0 into release-5-1
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2015-07-26 Mark AbrahamVersion bumps after new release
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2015-07-24 Mark AbrahamMerge branch release-5-1
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2015-07-24 Mark AbrahamVersion 5.0.6
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2015-07-24 Teemu MurtolaRename trnio routines
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2015-07-08 Erik LindahlMove FFT defines to use cmakedefine01
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2015-07-06 Mark AbrahamFirst 5.1 release candidate
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2015-07-06 Berk HessFix too small GPU pair count estimates
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2015-07-06 Berk HessFix bug in GPU list balancing
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2015-06-29 Mark AbrahamMerge branch release-5-0
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2015-06-29 Mark AbrahamDocumented build types in developer guide
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2015-06-29 Mark AbrahamMerge release-4-6 into release-5-0
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2015-06-29 Mark AbrahamFix all use of nbnxn_simd.h
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2015-06-27 Berk HessImprove pair search thread load balance
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2015-06-27 Mark AbrahamMerge release-5-0 into master
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2015-06-26 Mark AbrahamMerge release-4-6 into release-5-0
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2015-06-25 Erik LindahlFix edr appending and exact continuation
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2015-06-25 Erik LindahlFix binary exact continuation for trajectories
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2015-06-25 Mark AbrahamMerge release-5-0 into master
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2015-06-24 Mark AbrahamMerge release-4-6 into release-5-0
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2015-06-15 Rossen ApostolovBuilding own fftw now uses version 3.3.4
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2015-06-12 Mark AbrahamFix commandline test data
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2015-06-09 Mark AbrahamMerge branch release-4-6 into release-5-0
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2015-06-09 Teemu MurtolaResolve one TODO for command line help tests
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2015-05-28 Teemu MurtolaImprove lists in user guide for selections
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2015-05-26 Mark AbrahamConvert ewald module to C++
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2015-05-26 Mark AbrahamFix use of hard-coded temporary filename
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2015-05-19 Mark AbrahamAdd checks for correct use of SIMD headers.
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2015-05-17 Mark AbrahamMerge branch origin/release-5-0
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2015-05-15 Szilard PallAssert the size of non-bonded GPU work units
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2015-05-13 Mark AbrahamVersion bumps after new release
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2015-05-13 Mark AbrahamVersion 5.0.5
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2015-05-12 Rossen ApostolovAdded a note about sc-coul being auto turned on.
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2015-05-09 Mark AbrahamMerge branch release-5-0
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2015-05-05 Mark AbrahamMerge release-4-6 into release-5-0
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The ultimate molecular dynamics simulation package