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Tidy: modernize-use-nullptr
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
sim_util.cpp
2017-01-11
Roland Schulz
Tidy: modernize-use-nullptr
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2016-12-20
Mark Abraham
Merge branch release-2016
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2016-12-12
Teemu Murtola
Merge branch release-2016
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2016-12-08
Berk Hess
Made mdrun -pforce terminate with non-finite forces
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2016-12-07
Mark Abraham
Merge branch release-2016
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2016-10-31
Mark Abraham
Merge branch release-2016
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2016-10-31
Mark Abraham
Merge branch release-2016
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2016-10-28
Berk Hess
Fix DLB timing with CUDA and OpenCL
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2016-10-09
Mark Abraham
Merge branch release-2016
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2016-10-07
David van der Spoel
Modularize electric field handling
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2016-10-07
Berk Hess
Changed fr->f_novirsum to PaddedRVecVector
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2016-10-03
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-09-29
Berk Hess
Use std::vector in t_state
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2016-09-16
Berk Hess
Merge branch release-2016
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2016-09-08
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-09-05
David van der Spoel
Merge "Merge branch release-2016"
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diff to current
2016-09-04
Berk Hess
Merge branch release-2016
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2016-09-03
Berk Hess
Clean up PME flags variable use
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2016-09-02
Berk Hess
Merge branch release-5-1 into release-2016
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2016-08-24
Berk Hess
Merge branch release-5-1 into release-2016
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2016-08-15
Mark Abraham
Merge branch release-2016
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2016-07-29
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-07-23
Roland Schulz
Merge release-2016 into master
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2016-07-12
Mark Abraham
Merge branch release-2016
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2016-07-08
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-06-30
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-06-27
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-06-23
Mark Abraham
Merge branch release-2016
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2016-06-22
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-06-22
Berk Hess
Remove OpenMP overhead at high parallelization
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2016-06-17
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-06-08
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-06-01
Teemu Murtola
Use C++ replacement for md_logging.*
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2016-05-31
Berk Hess
Add check for finite energies
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2016-05-12
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-05-10
Erik Lindahl
Flush streams when not writing newline character
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2016-05-10
Roland Schulz
Add OpenMP for functions limiting scaling
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2016-05-05
Teemu Murtola
Merge branch release-5-1
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2016-04-27
Mark Abraham
Merge branch release-5-1
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2016-04-27
Teemu Murtola
Merge "Merge branch release-5-1"
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2016-04-14
Mark Abraham
Merge branch release-5-1
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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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2016-02-21
Mark Abraham
Separate table construction
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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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2016-02-08
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
Mark Abraham
Merge release-5-0 into release-5-1
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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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2016-01-11
Mark Abraham
Improved update_coords
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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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2015-12-28
Mark Abraham
Merge branch release-5-1
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2015-12-20
Berk Hess
Merge release-5-1 into master
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2015-12-17
Mark Abraham
Simplified energy-summation code
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2015-12-16
Berk Hess
Add one element to state rvec arrays
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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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2015-12-12
Teemu Murtola
Move disre.* and orires.* to listed-forces/
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2015-12-12
Teemu Murtola
Move put_atoms_in_box_omp() to sim_util.*
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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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2015-12-09
Mark Abraham
Update use of preprocessor in managing GPU support
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2015-12-08
Mark Abraham
Merge branch 'release-5-0' into release-5-1
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2015-12-02
Mark Abraham
Remove twin-range scheme
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2015-11-30
Teemu Murtola
Merge remaining legacyheaders/types/ to mdtypes/
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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
Merged legacyheaders/types/ns.h and nblist.h to mdtypes...
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2015-11-20
David van der Spoel
Combine enums.h and names*.
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2015-11-20
Mark Abraham
Split wallcycle interface
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2015-11-20
Mark Abraham
Remove ewcWAIT_GPU_NB_L_EST
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2015-11-20
David van der Spoel
Merged legacyheaders/nrnb.h and types/nrnb.h to gmxlib.
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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 nonbonded.h to gmxlib/nonbonded/
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2015-11-13
David van der Spoel
Moved genborn.h to mdlib
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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
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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diff to current
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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diff to current
2015-10-14
Mark Abraham
Merge release-5-0 into release-5-1
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diff to current
2015-10-07
Mark Abraham
Merge branch release-5-1 into master
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diff to current
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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2015-10-03
Teemu Murtola
Merge branch release-5-1 into master
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biod.pnpi.spb.ru / alexxy / gromacs.git / history