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Shell code cleanup
2015-12-24 Mark AbrahamShell code cleanup
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2015-12-17 Mark AbrahamSimplified energy-summation code
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2015-12-12 Mark AbrahamBroke up copyright.*
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2015-12-12 Mark AbrahamRequire Nose-Hoover with MTTK
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2015-12-11 Mark AbrahamStop global communication depending on integrator
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2015-12-10 Mark AbrahamMerge branch 'origin/release-5-1'
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2015-12-09 Mark AbrahamUpdate use of preprocessor in managing GPU support
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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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2015-12-02 Mark AbrahamRemove twin-range scheme
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2015-11-30 Mark AbrahamRefactor hardware information management
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2015-11-25 Mark AbrahamFix logic of dd_print_missing_interactions exit
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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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2015-11-22 Mark AbrahamFix generic group-scheme kernel table dereferencing
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2015-11-20 Mark AbrahamSplit wallcycle interface
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2015-11-20 Mark AbrahamRemove ewcWAIT_GPU_NB_L_EST
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2015-11-19 Mark AbrahamSimplified init and mdrun code
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2015-11-16 Mark AbrahamFix use of #if vs #ifdef
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2015-11-16 Mark AbrahamRemove t_adress
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2015-11-16 Mark AbrahamFix AlignedAllocator with MSVC2015 debug mode
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2015-11-16 Mark AbrahamRemoved state_global from mdrun energy-summation
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2015-11-16 Mark AbrahamRemove "support" for twin-range with VV integrators
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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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2015-11-15 Mark AbrahamMove responsibility for FFT description string
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2015-11-14 Mark AbrahamMoved all cool stuff to its own file
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2015-11-14 Mark AbrahamFix walltime measurement with bgclang
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2015-11-13 Mark AbrahamUpdate includesorter.py
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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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2015-11-05 Mark AbrahamMove DD hashing to domdec module
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2015-11-05 Mark AbrahamHandle another unused variable
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2015-11-04 Mark AbrahamPermit matrix build with RelWithDebInfo set
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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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2015-11-04 Mark AbrahamFix icc 16 issues
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2015-11-04 Mark AbrahamStop moving from unique_ptr when copy elision works
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2015-11-03 Mark AbrahamQuiet warnings with clang-3.7
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2015-11-03 Mark AbrahamMerge branch release-5-1
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2015-11-02 Mark AbrahamReplace boost::shared_ptr with std::shared_ptr
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2015-10-28 Mark AbrahamUse default alignment for OpenCL host buffer
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2015-10-28 Mark AbrahamSeparate wallcycle responsibilities
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2015-10-28 Mark AbrahamSuppress warnings when we have OpenCL 2.0 support
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2015-10-23 Mark AbrahamImprove implementation of cycle subcounting
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2015-10-19 Mark AbrahamFix cycle subcounters
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2015-10-16 Mark AbrahamAdd Jenkins options matrix to source repo
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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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2015-10-09 Mark AbrahamRemove CGLO_RERUNMD
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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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2015-10-05 Mark AbrahamMerge "Merge branch release-5-1 into master"
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2015-10-03 Mark AbrahamFix FindFFTW behaviour
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2015-10-03 Mark AbrahamFix mdrun -nb auto -rerun with GPU and energy groups
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2015-10-02 Mark AbrahamTemporarily test on a machine with only two GPUs
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2015-09-29 Mark AbrahamClean up of tables code
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2015-09-29 Mark AbrahamMove tables.c to new module and C++
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2015-09-29 Mark AbrahamHard-code fewer things in table code
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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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2015-09-16 Mark AbrahamRemove GMX_NOCHARGEGROUPS
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2015-09-15 Mark AbrahamMerge branch release-5-1
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2015-09-12 Mark AbrahamClean up tpxio.cpp
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2015-09-09 Mark AbrahamReduce misuse of fatalerror.h
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2015-09-06 Mark AbrahamAdd GROMACS 5 paper to paper lists
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2015-09-04 Mark AbrahamFix recent tpr change
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2015-09-03 Mark AbrahamNever operate on force array in .tpr
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2015-08-28 Mark AbrahamKeep hw_opt more const
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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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2015-08-13 Mark AbrahamMake it easier to find selection help
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2015-08-13 Mark AbrahamMake it easier to find selection help
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2015-08-13 Mark AbrahamRe-enable multi-GPU support in OpenCL for thread MPI
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2015-08-13 Mark AbrahamDocumentation fixes
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2015-08-13 Mark AbrahamAvoid FP exception with empty .mdp file
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2015-08-12 Mark AbrahamAdd documentation for energygrps with GPUs
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2015-08-12 Mark AbrahamAdd to author lists
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2015-08-11 Mark AbrahamAbort if PME tuning is active and counters reset
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2015-08-10 Mark AbrahamRequire tune_pme to take -mdrun parameter
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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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2015-08-06 Mark AbrahamFix FindNVML.cmake
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2015-08-06 Mark AbrahamFix thread-affinity checking
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2015-08-05 Mark AbrahamFix em dash in new reference
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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 use of wrongly-named GCC minor-version variable
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2015-08-03 Mark AbrahamFix possible linking of libxml2 to zlib
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2015-07-26 Mark AbrahamConvert some mdrun utility code to C++
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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 AbrahamStop mdrun printing potentially undefined value
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The ultimate molecular dynamics simulation package