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Quiet warning
2019-08-12 Mark AbrahamQuiet warning
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2019-08-12 Mark AbrahamFix ocl_kernel target
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2019-08-08 Mark AbrahamFix estimate of the size of a j list
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2019-08-08 Mark AbrahamInitialize gmx_ekindata_t and t_vcm properly
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2019-08-08 Mark AbrahamStop testing ICC on Windows
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2019-08-05 Mark AbrahamAdd quote
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2019-08-05 Mark AbrahamRemove libgromacs_generated contributions from FindCUDA...
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2019-08-01 Mark AbrahamManage compiler flags and some include options per...
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2019-08-01 Mark AbrahamImprove use of object libraries in libgromacs
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2019-08-01 Mark AbrahamMerge "Merge release-2019 into master"
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2019-07-24 Mark AbrahamRemove tests of make_unique
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2019-07-23 Mark AbrahamUpdate developer guide
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2019-07-16 Mark AbrahamAdd gpubufferops test matrix
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2019-07-11 Mark AbrahamFix pre-submit build matrix and description
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2019-07-08 Mark AbrahamFix hwloc and sphinx detection
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2019-07-08 Mark AbrahamTest specific hwloc versions
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2019-07-05 Mark AbrahamImprove tests of index block construction
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2019-07-05 Mark AbrahamModernize FindHwloc.cmake
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2019-07-04 Mark AbrahamFurther clang-tidy-7 fix
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2019-07-04 Mark AbrahamFix clang-tidy-7 issues
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2019-07-03 Mark AbrahamReorder options
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2019-07-02 Mark AbrahamClarify wording of release notes
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2019-06-18 Mark AbrahamMove code handling mdrun -gpu_id to taskassignment...
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2019-06-12 Mark AbrahamFix pygments detection for sphinx for docs build
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2019-06-11 Mark AbrahamUse RAII approaches for hardware information detection
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2019-06-11 Mark AbrahamClean up multisim, communication, and REMD code
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2019-06-11 Mark AbrahamInitialize all of gmx_domdec_comm_t
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2019-05-24 Mark AbrahamReorder code before thread-MPI spawns threads
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2019-05-23 Mark AbrahamTeach ArrayRefWithPadding to make a const flavour
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2019-05-23 Mark AbrahamRevert "Fixed dvdlambda for SHAKE + FE"
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2019-05-22 Mark AbrahamRewrite starting behavior
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2019-05-22 Mark AbrahamIntroduce tri-state enums for restarts
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2019-05-22 Mark AbrahamMove functionality to mdrunutility
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2019-05-20 Mark AbrahamFix equation typo
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2019-05-14 Mark AbrahamUpdate infrastructure needed for restart rewrite
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2019-05-08 Mark AbrahamProvide hook for forks of GROMACS to describe themselves
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2019-05-07 Mark AbrahamProvide better help for using libc++
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2019-05-07 Mark AbrahamAdd an example of using an MPI wrapper compiler
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2019-05-06 Mark AbrahamImprove how mdrun -noappend names output files
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2019-05-03 Mark AbrahamMore tests for how mdrun -cpi restarts handle files
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2019-05-02 Mark AbrahamEnhance path search functions
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2019-04-30 Mark AbrahamTest the output of "gmx mdrun help"
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2019-04-25 Mark AbrahamUpdate style guide about class enums
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2019-04-23 Mark AbrahamClarify pushing of interaction types
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2019-04-23 Mark AbrahamUpdated clang -Weverything checks to clang-7
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2019-04-18 Mark AbrahamCreate gmx::compat::optional
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2019-04-18 Mark AbrahamMove pull work struct out of inputrec
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2019-04-18 Mark AbrahamImprove swapcoords session lifetime management
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2019-04-17 Mark AbrahamFix post-submit
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2019-04-16 Mark AbrahamRemoved mdrun -gcom
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2019-04-13 Mark AbrahamFix self-consistency tests of hwloc data structures
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2019-04-12 Mark AbrahamImprove warning messages about duplicate definitions
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2019-04-10 Mark AbrahamStart making IMD and swap model IMDModule
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2019-04-10 Mark AbrahamReuse rvecs_differ in InteractiveMD module
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2019-04-10 Mark AbrahamMake ImdSession into a Pimpl-ed class with factory...
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2019-04-10 Mark AbrahamReform IMD module
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2019-04-09 Mark AbrahamFix typo in AVX512 detection code
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2019-04-03 Mark AbrahamInitial deactivation of group scheme.
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2019-04-01 Mark AbrahamMove MDModules initialization earlier
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2019-04-01 Mark AbrahamMove enerdata ownership to mdrunner
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2019-03-28 Mark AbrahamMove DomdecOptions into its own header
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2019-03-25 Mark AbrahamSupport ArrayRef of EnumerationArray
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2019-03-25 Mark AbrahamConvert gmx dump to module
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2019-03-20 Mark AbrahamClean up mdrun help description
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2019-03-20 Mark AbrahamImprove mimic module
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2019-03-19 Mark AbrahamAdd support for serializing 32-bit integers
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2019-03-19 Mark AbrahamFix clang warning
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2019-03-19 Mark AbrahamUpdate ElectricField module
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2019-03-19 Mark AbrahamPrevented FFTW build errors with clang and AVX-512
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2019-03-13 Mark AbrahamProvide reminder of which nvcc is in use
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2019-03-12 Mark AbrahamFix memory leak
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2019-03-07 Mark AbrahamEliminate mdlib/mdrun.h
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2019-03-07 Mark AbrahamRemove ineffective code for writing more TER fields...
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2019-03-07 Mark AbrahamNew tests for pdb2gmx and editconf
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2019-03-06 Mark AbrahamClean up use of loop indices
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2019-03-06 Mark AbrahamRevert "Eliminate mdlib/mdrun.h"
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2019-03-06 Mark AbrahamEliminate mdlib/mdrun.h
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2019-03-06 Mark AbrahamMinor modernization in gmx_dump
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2019-03-05 Mark AbrahamMake pdb2gmx tests run in Jenkins
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2019-03-02 Mark AbrahamMerge branch release-2019
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2019-03-02 Mark AbrahamRemove defunct mdrun options
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2019-02-27 Mark AbrahamKeep niche CMake variables as advanced
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2019-02-27 Mark AbrahamRemove minor broken functionality in gmx bar
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2019-02-26 Mark AbrahamAdd new line to trjconv notice to users
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2019-02-25 Mark AbrahamMove code out of sim_util.cpp
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2019-02-25 Mark AbrahamDe-duplicate gmx_tmpnam and gmx_fopen_temporary
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2019-02-15 Mark AbrahamImproved diagnostics when PME cannot run on GPUs
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2019-02-14 Mark AbrahamFix use of selections referring to index groups
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2019-02-14 Mark AbrahamRevert changes to implementation of insert-molecules...
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2019-02-13 Mark AbrahamImproved electric-field docs
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2019-02-13 Mark AbrahamMake EnergyOutput wrapper class
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2019-02-13 Mark AbrahamReduce coupling to paddedvector.h
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2019-02-12 Mark AbrahamQuiet clang warning
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2019-02-12 Mark AbrahamRemove gmx::Regex
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2019-02-08 Mark AbrahamFix Intel compiler warning
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2019-02-08 Mark AbrahamRemove copy_energy from energy-writing steps
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2019-02-08 Mark AbrahamReform energy output tests
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2019-02-04 Mark AbrahamRemove SIMD support from group scheme
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2019-01-30 Mark AbrahamMerge remote branch release-2018 into release-2019
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2019-01-30 Mark AbrahamFix release notes issue links
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The ultimate molecular dynamics simulation package