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Merge branch release-5-1
[alexxy/gromacs.git]
/
src
/
programs
/
mdrun
/
runner.cpp
2016-04-14
Mark Abraham
Merge branch release-5-1
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2016-03-30
Berk Hess
Correct mdrun tMPI (non-)parallel error message
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2016-03-21
Berk Hess
Moved pull initialization back to mdrunner
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2016-03-15
Mark Abraham
Merge branch release-5-0 into release-5-1
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2016-03-11
Mark Abraham
Merge branch release-5-0 into release-5-1
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2016-02-22
Mark Abraham
Move init of specialized dynamical algorithms to do_md
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2016-02-19
Mark Abraham
Merge branch release-5-1
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2016-02-16
Mark Abraham
Merge branch release-5-0 into release-5-1
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2016-02-09
Gerrit Code Review
Merge "Merge branch release-5-1"
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2016-02-08
Mark Abraham
Merge branch release-5-0 into release-5-1
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2016-02-06
Mark Abraham
Merge branch release-5-1
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2016-02-03
Berk Hess
Fix mdrun removing Verlet buffer with EM
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2016-02-03
Mark Abraham
Merge release-5-0 into release-5-1
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2016-02-01
Gerrit Code Review
Merge "Merge branch release-5-1"
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2016-01-29
Berk Hess
Update -ntomp_pme -npme check
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2016-01-28
Mark Abraham
Merge branch release-5-1
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2016-01-27
Mark Abraham
Merge branch release-5-1
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2016-01-25
Mark Abraham
Merge branch release-5-1
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2016-01-20
Szilárd Páll
Merge remote-tracking branch 'origin/release-5-1' into...
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2016-01-12
Mark Abraham
Merge branch release-5-0 into release-5-1
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2016-01-12
Teemu Murtola
Make GMX_MPI always defined to 0/1
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2016-01-11
Teemu Murtola
Convert more config.h defines to 0/1
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2016-01-10
Teemu Murtola
Convert some config.h macros to use 0/1
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2016-01-08
Mark Abraham
Merge branch release-5-1
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2016-01-07
Mark Abraham
Fix some mdrun header dependencies
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2016-01-07
Mark Abraham
Remove SD2 integrator
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2015-12-28
Mark Abraham
Merge branch release-5-1
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2015-12-27
Berk Hess
Reorganized domdec initialization
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2015-12-26
Teemu Murtola
Clean up vec.h
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2015-12-20
Berk Hess
Merge release-5-1 into master
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2015-12-15
Erik Lindahl
C++ math function cleanup
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2015-12-15
Teemu Murtola
Move main.*, splitter.*, gmx_omp_nthreads.* to mdlib
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2015-12-15
Teemu Murtola
Move hardware detection to hardware/
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2015-12-15
Teemu Murtola
Move some mdrun code out of gmxlib/
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2015-12-15
Teemu Murtola
Move gpu_utils etc. out of gmxlib
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2015-12-12
Teemu Murtola
Create separate module for trajectory data
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2015-12-12
Teemu Murtola
Move disre.* and orires.* to listed-forces/
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2015-12-12
Mark Abraham
Broke up copyright.*
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2015-12-11
Teemu Murtola
Merge "Merge branch 'origin/release-5-1'"
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2015-12-10
Mark Abraham
Merge branch 'origin/release-5-1'
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2015-12-09
Teemu Murtola
Split txtdump.*, part 2
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2015-12-08
Mark Abraham
Merge branch 'release-5-0' into release-5-1
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2015-12-03
Mark Abraham
Remove mdrun -compact
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2015-12-03
Teemu Murtola
Move filenm.* to commandline
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2015-12-02
Teemu Murtola
Split filenm.*
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2015-12-02
Mark Abraham
Remove twin-range scheme
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2015-11-23
David van der Spoel
Moved domdec structures out of commrec.h.
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2015-11-20
David van der Spoel
Combine enums.h and names*.
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2015-11-19
Mark Abraham
Simplified init and mdrun code
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2015-11-16
Mark Abraham
Merge branch release-5-1
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2015-11-15
Mark Abraham
Remove AdResS
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2015-11-14
Teemu Murtola
Move network.h to gmxlib/
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2015-11-13
Teemu Murtola
Move gmx_detect_hardware.h to gmxlib/
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2015-11-12
David van der Spoel
Moved txtdump.* to fileio.
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2015-11-12
David van der Spoel
Moved copyrite.* to fileio from gmxlib and legacyheaders.
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2015-11-11
David van der Spoel
Moved inputrec.* from gmxlib and legacyheaders to mdtypes.
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2015-11-11
Mark Abraham
Merge release-5-0 into release-5-1
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2015-11-10
David van der Spoel
Removed legacyheaders/typedefs.h
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2015-11-07
Teemu Murtola
Move gmx_omp_nthreads.h and gmx_thread_affinity.h to...
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2015-11-06
Teemu Murtola
Move force.h and vsite.h into mdlib/
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2015-11-04
Mark Abraham
Merge branch release-5-1
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2015-11-03
Mark Abraham
Merge branch release-5-1
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2015-10-28
Mark Abraham
Separate wallcycle responsibilities
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2015-10-14
Mark Abraham
Merge release-5-0 into release-5-1
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2015-10-07
Mark Abraham
Merge branch release-5-1 into master
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2015-10-05
Mark Abraham
Merge release-5-0 into release-5-1
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2015-10-05
Erik Lindahl
Added try/catch statements in OpenMP regions and tMPI...
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2015-10-05
Mark Abraham
Merge "Merge branch release-5-1 into master"
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2015-10-05
Teemu Murtola
Make using C++ type with snew() a compiler error
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2015-10-03
Teemu Murtola
Merge branch release-5-1 into master
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2015-10-03
Mark Abraham
Fix mdrun -nb auto -rerun with GPU and energy groups
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2015-10-02
Teemu Murtola
More headers out of legacyheaders
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2015-10-02
David van der Spoel
Removed output_env_t, now using gmx_output_env_t *...
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2015-09-29
Mark Abraham
Clean up of tables code
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2015-09-27
Teemu Murtola
More headers out of legacyheaders
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2015-09-26
Teemu Murtola
Remove types/membedt.h
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2015-09-25
Teemu Murtola
More legacyheaders to gmxlib/mdlib
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2015-09-25
Teemu Murtola
Move some headers from legacyheaders to mdlib/gmxlib
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2015-09-22
Teemu Murtola
Move oenv.* to fileio/
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2015-09-15
Mark Abraham
Merge branch release-5-1
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2015-09-10
David van der Spoel
Moved content from mdrun.h to separate headers.
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2015-09-10
David van der Spoel
Removed <sys/types.h> and "types/constr.h" from typedefs
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2015-09-09
David van der Spoel
Removed fileio/trx.h from typedefs.h
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2015-09-09
Mark Abraham
Reduce misuse of fatalerror.h
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2015-09-08
David van der Spoel
Moved functions operating on forcerec to separate header.
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2015-09-03
Mark Abraham
Never operate on force array in .tpr
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2015-08-15
Teemu Murtola
Merge "Merge branch release-5-1 into master"
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2015-08-14
Mark Abraham
Merge branch release-5-1 into master
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2015-08-14
Berk Hess
Make mdrun -nt work again
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2015-08-08
Mark Abraham
Merge branch release-5-0 into release-5-1
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2015-08-04
Mark Abraham
Merge release-5-0 into release-5-1
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2015-07-26
Erik Lindahl
Merge branch release-5-1
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2015-07-26
Mark Abraham
Merge branch release-5-0 into release-5-1
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2015-07-24
Mark Abraham
Merge branch release-5-1
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2015-07-20
Teemu Murtola
Merge release-5-0 into release-5-1
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2015-07-09
Erik Lindahl
Merge "Merge release-5-1 into master"
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diff to current
2015-07-08
Roland Schulz
Merge release-5-1 into master
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diff to current
2015-07-08
Roland Schulz
Merge release-5-0 into release-5-1
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2015-07-04
Berk Hess
Obey OpenMP thread count limit with tMPI
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2015-07-02
Teemu Murtola
Clean up gmxfio includes
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biod.pnpi.spb.ru / alexxy / gromacs.git / history