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Pragma warning suppressins for icc+windows
2018-06-13 Mark AbrahamUse initializer lists for Lincs and Task
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2018-06-13 Mark AbrahamUse more containers and views for constraints code
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2018-06-13 Mark AbrahamUpdate top-level README
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2018-06-13 Mark AbrahamFixed documentation typo
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2018-06-13 Mark AbrahamBump lmfit support to version 7
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2018-06-12 Mark AbrahamMore fixes to suit gcc 8 for double build
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2018-06-12 Mark AbrahamPrepare for GROMACS 2019 release notes
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2018-06-06 Mark AbrahamMove IMD initialization and fuse DD setup
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2018-06-05 Mark AbrahamFixed enemat when .edr had no matching energy groups
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2018-06-05 Mark AbrahamImproved docs for gmx mindist -pi
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2018-06-05 Mark AbrahamMake proper BoxDeformation class
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2018-06-05 Mark AbrahamSeparate flexible constraint counting
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2018-06-05 Mark AbrahamMake Constraints a proper class
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2018-06-04 Mark AbrahamUpdate Awh initialization and lifetime management
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2018-06-04 Mark AbrahamRemove redundant shell-code fatal errors
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2018-05-25 Mark AbrahamClean up force.h and its use
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2018-05-24 Mark AbrahamRemove bDomDec from t_forcerec
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2018-05-24 Mark AbrahamMove responsibility for bonded threading decomposition
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2018-05-24 Mark AbrahamRelocate GPU initialization for PME
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2018-05-24 Mark AbrahamReform Ewald-module cmake handling
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2018-05-23 Mark AbrahamClean up PME testing
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2018-05-04 Mark AbrahamMerge "Merge branch release-2018"
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2018-05-04 Mark AbrahamMore const correctness
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2018-05-03 Mark AbrahamMerge branch release-2018
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2018-04-26 Mark AbrahamRevert "Tweak PME run mode checks"
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2018-04-25 Mark AbrahamRefactor SD update
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2018-04-18 Mark AbrahamIntroduce gmx_used_in_debug
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2018-04-17 Mark AbrahamShift per-step control logic to do_md
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2018-04-17 Mark AbrahamBreak apart update_constraints
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2018-04-16 Mark AbrahamUpdated mdrun comparison infrastructure
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2018-04-13 Mark AbrahamMerge branch release-2018
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2018-04-13 Mark AbrahamClean up constraints code
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2018-04-12 Mark AbrahamRemove use of where(), if DEBUG etc.
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2018-04-12 Mark AbrahamReorganize energy evaluation for EM
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2018-04-05 Mark AbrahamSimplified handling of simulation runners
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2018-04-05 Mark AbrahamCreate gromacs/mdrun module and move code there
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2018-04-04 Mark AbrahamQuiet checkpoint reading
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2018-04-03 Mark AbrahamRemove leftover mention of twin-range scheme
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2018-04-03 Mark AbrahamMerge "Merge branch release-2018"
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2018-03-28 Mark AbrahamFree more memory in grompp and mdrun
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2018-03-28 Mark AbrahamMerge branch release-2018
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2018-03-27 Mark AbrahamClarified mdp options relating to bonds
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2018-03-27 Mark AbrahamMore gcc-8 fixes for POWER
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2018-03-22 Mark AbrahamUpdated to prepare for 2018.2 release
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2018-03-21 Mark AbrahamVersion 2018.1
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2018-03-21 Mark AbrahamMerge "Merge branch release-2016 into release-2018...
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2018-03-21 Mark AbrahamUpdate release notes for 2018.1
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2018-03-20 Mark AbrahamMerge branch release-2016 into release-2018
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2018-03-20 Mark AbrahamUpdate use of gpu_id in Jenkins
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2018-03-20 Mark AbrahamUpdate use of gpu_id in Jenkins
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2018-03-20 Mark AbrahamUpdate use of gpu_id in Jenkins
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2018-03-20 Mark AbrahamAdd helper function to make a vector from an ArrayRef
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2018-03-19 Mark AbrahamFix VSX SIMD with gcc 8
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2018-03-14 Mark AbrahamMake a persistent physical node communicator
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2018-03-13 Mark AbrahamAdd more const to uses of t_commrec and t_inputrec
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2018-03-13 Mark AbrahamIntroduce constrain_shake
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2018-03-13 Mark AbrahamMerge "Merge branch release-2018"
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2018-03-12 Mark AbrahamTest gcc-6 and cuda-9.0
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2018-03-06 Mark AbrahamMerge branch release-2018
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2018-03-06 Mark AbrahamFixed dvdlambda for SHAKE + FE
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2018-02-28 Mark AbrahamMoved and removed constraint code
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2018-02-28 Mark AbrahamReorganized constraint code
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2018-02-27 Mark AbrahamFix GPU utils test
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2018-02-26 Mark AbrahamPermit define .mdp field to assign values
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2018-02-26 Mark AbrahamOrganize for recording 2016-era release notes and add...
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2018-02-21 Mark AbrahamEnhanced docs of pimpl pointer helper
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2018-02-19 Mark AbrahamRemove cycle suppression
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2018-02-19 Mark AbrahamDisallowed change of ensemble for checkpoint restart
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2018-02-16 Mark AbrahamMerge branch release-2016 into release-2018
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2018-02-16 Mark AbrahamBumped patch version for next release
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2018-02-16 Mark AbrahamMerge branch release-2018 into master
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2018-02-16 Mark AbrahamVersion 2016.5
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2018-02-15 Mark AbrahamUse struct for checkpoint header contents
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2018-02-14 Mark AbrahamRemove read_checkpoint_state
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2018-02-14 Mark AbrahamUse std::vector for checkpoint outputfiles
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2018-02-14 Mark AbrahamMerge branch release-2016 into release-2018
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2018-02-14 Mark AbrahamFix bug in checkpoint error checking
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2018-02-14 Mark AbrahamPrepare release notes for 2018.1
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2018-02-13 Mark AbrahamUse death test only when supported
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2018-02-13 Mark AbrahamSeparate multisim from commrec
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2018-02-12 Mark AbrahamRemove commrec from hardware detection
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2018-02-12 Mark AbrahamAnalyse threads on node before setting affinities
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2018-02-12 Mark AbrahamFix reading old force field files
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2018-02-09 Mark AbrahamMerge branch release-2018
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2018-02-08 Mark AbrahamUse more portable python shebangs
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2018-02-08 Mark AbrahamMerge "Merge branch release-2016 into release-2018...
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2018-02-08 Mark AbrahamMerge branch release-2016 into release-2018
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2018-02-08 Mark AbrahamMerge "Merge branch 'release-2018' into master"
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2018-02-06 Mark AbrahamPrevent log file energy average printing dividing by...
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2018-02-06 Mark AbrahamUse isfinite unambiguously
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2018-01-30 Mark AbrahamReplace macros for multi-sim
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2018-01-30 Mark AbrahamUpdate GoogleTest to 1.8.0
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2018-01-27 Mark AbrahamRemove unused declaration
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2018-01-25 Mark AbrahamRemove unused fields of t_commrec
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2018-01-25 Mark AbrahamReduced includes of common headers in headers
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2018-01-25 Mark AbrahamRemoved mdrun -multi
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2018-01-24 Mark AbrahamChange multi-sim tests to use -multidir
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2018-01-24 Mark AbrahamRemove gmx_inline
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2018-01-24 Mark AbrahamTeach include sorter to ignore cmake-test files
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2018-01-24 Mark AbrahamMove Windows icc config to post-submit testing
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The ultimate molecular dynamics simulation package