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Remove read_checkpoint_state
2018-02-14 Mark AbrahamRemove read_checkpoint_state
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2018-02-14 Berk HessRemove support for tpx version before 58/gmx4.0
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2018-02-14 Mark AbrahamUse std::vector for checkpoint outputfiles
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2018-02-14 Aleksei IupinovReplace the remaining EXPECT_DEATH with EXPECT_DEATH_IF_SUPP...
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2018-02-14 Aleksei IupinovAdd DeviceBuffer as a typedef for cl_mem/device ponter
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2018-02-14 Szilárd PállRemove barriers preventing texture reference races
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2018-02-13 Mark AbrahamSeparate multisim from commrec
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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 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 Aleksei IupinovEnable debug FP exceptions without TPI, not with TPI
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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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2018-02-02 Aleksei IupinovDon't print impossible CUDA version numbers in absence...
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2018-02-01 Paul BauerAdd information for n2t file format
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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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2018-01-24 Mark AbrahamReplace gmx_bool with bool in bitmask functions
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2018-01-23 Mark AbrahamRemove support for implicit solvation
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2018-01-23 Mark AbrahamRemove topology support for implicit solvation
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2018-01-23 Aleksei IupinovTest PME CPU/GPU with walls and box scaling
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2018-01-23 Aleksei IupinovWrap the PME testing loop in a method for extensibility
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2018-01-23 Mark AbrahamPreliminary cleanup before removing ifdef cplusplus
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2018-01-19 Aleksei IupinovAdd a death test for the duplicate inputrec keys checking
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2018-01-19 Mark AbrahamMerge "Merge branch 'release-2018' into master"
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2018-01-19 Aleksei IupinovRename class BiasReader to struct BiasOutputSetup
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2018-01-19 Mark AbrahamAdd dev-guide docs for automatic update of regressiontests
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2018-01-19 Aleksei IupinovMake the reference data variables local in GetIrTest
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2018-01-19 Mark AbrahamFixes for issues found by clang 6
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2018-01-18 Mark AbrahamRemove support for BlueGene
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2018-01-18 Berk HessFix COMM removal on part of the system
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2018-01-18 Paul BauerAdd contribution information to webpage
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2018-01-17 Aleksei IupinovFix box scaling in PME mixed mode
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2018-01-17 Berk HessRe-enable GPU with walls and 1 energy group
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2018-01-16 Mark AbrahamMerge "Merge release-2018 into master"
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2018-01-16 Roland SchulzMerge release-2018 into master
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2018-01-16 Berk HessAvoid mdrun echoing "No option -multi"
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2018-01-11 Mark AbrahamBumped version for next patch release
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2018-01-11 Mark AbrahamVersion 2018
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2018-01-11 Mark AbrahamAnnounce in user log files that features are deprecated.
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2018-01-11 Roland SchulzFix GMX_ENABLE_AVX512_TESTS being internal
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2018-01-10 Mark AbrahamFix automated GPU ID assignment
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2018-01-10 Szilárd PállUser guide updates to GPU section
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2018-01-10 Szilárd PállRelease notes tweaks
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2018-01-10 Mark AbrahamAdd release notes to source repo
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2018-01-10 Erik LindahlImprove pdb2gmx for nonstandard residue types
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2018-01-10 Szilárd PállInstall guide updates
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2018-01-10 Szilárd PállEnvironment variable docs maintenance
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2018-01-10 Aleksei IupinovDo not print PME counter breakdown if it's empty
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2018-01-10 Mark AbrahamHandle erroneous command line args better
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2018-01-10 Erik LindahlClarified gmx rmsf documentation
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2018-01-09 Mark AbrahamClean up user guide for release
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2018-01-09 Mark AbrahamMerge branch release-2016 into release-2018
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2018-01-09 Berk HessDo not turn on DLB at replica exchange
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2018-01-04 Mark AbrahamMerge branch release-2018
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2018-01-04 Erik LindahlImplement changes for CMake policy 0068
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2018-01-04 Mark AbrahamAdd test config of GPU build on slave without GPU
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2018-01-04 Paul BauerFix gmx msd when using COM removal and molecules
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2018-01-03 Erik LindahlFix index error in gmx chi
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2018-01-03 Paul BauerCorrect dihedral restraint section in Manual
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2018-01-03 Erik LindahlAvoid FTZ triggering simd test failures
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2018-01-02 Erik LindahlFix OpenCL compiles on Mac OS
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2018-01-02 Erik LindahlImprove manual from comments by Gang Liu
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2018-01-02 Erik LindahlMake it explicit that time units apply to begin/end...
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2018-01-02 Erik LindahlDon't require matching names between rtp and tdb files
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2018-01-02 Erik LindahlDon't write reference pull group 0 to log
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2017-12-30 Mark AbrahamFirst release candidate for version 2018
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2017-12-26 Erik LindahlFix builds on ARM & clarify (ARM) GPU support
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2017-12-22 Mark AbrahamMerge branch release-2016 into release-2018
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2017-12-21 Mark AbrahamMerge branch release-5-1 into release-2016
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2017-12-21 Mark AbrahamBump minor version for theoretical new release
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2017-12-21 Pascal MerzDocumentation and fixes for physical validation
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2017-12-21 Mark AbrahamUpdate double-precision test configurations
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2017-12-21 Roland SchulzUpdate checks for BuildOwnFFT
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2017-12-20 Mark AbrahamUse new defaultRealTolerance() to stabilise some tests
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2017-12-20 Mark AbrahamMerge "Merge branch release-2016 into release-2018...
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2017-12-20 Mark AbrahamMerge branch release-2016 into release-2018
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2017-12-19 Mark AbrahamThird beta release of 2018
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2017-12-19 Mark AbrahamFix table tests and improve table construction
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2017-12-19 Berk HessMake oversubscription warning consistent
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2017-12-19 Carsten KutznerFix electric field .mdp documentation
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2017-12-19 Erik LindahlUse reduced default tolerances for tpx comparison
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2017-12-18 Roland SchulzFix cmake error with emacs lock files in place
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2017-12-17 Roland SchulzChange avx_128_fma build to double
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2017-12-17 Roland SchulzSupport Simd4N for SimdRealWidth<4
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2017-12-14 Erik LindahlFix PBC error in gmx_spatial
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2017-12-14 Mark AbrahamMerge "Merge branch release-2016 into release-2018...
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2017-12-12 Erik LindahlDisallow ascii formats for gmx trjcat
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2017-12-12 Mark AbrahamImprove grompp missing-parameters error message
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2017-12-12 Mark AbrahamMerge branch release-2016 into release-2018
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2017-12-11 Mark AbrahamSecond beta release of 2018
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2017-12-11 Erik LindahlRemove duplicated lines from OPLS ffbonded.itp
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The ultimate molecular dynamics simulation package