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Add dynamic pair-list pruning framework
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
sim_util.cpp
2017-08-16
Berk Hess
Add dynamic pair-list pruning framework
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2017-07-09
Berk Hess
Restructure the load balancing timing
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2017-07-04
Berk Hess
Unify nbnxn kernel dispatchers
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2017-07-04
Mark Abraham
Clean up pick_nbnxn_resources
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2017-06-30
M. Eric Irrgang
Mark unmodified input parameter as const.
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2017-06-29
Teemu Murtola
Generalize IForceProvider
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2017-06-28
Mark Abraham
Merge branch release-2016
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2017-06-27
Roland Schulz
Merge branch release-2016
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2017-05-09
Mark Abraham
Merge branch release-2016
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2017-04-03
Mark Abraham
Remove do_pbc_first
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2017-03-31
Mark Abraham
Merge branch release-2016
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2017-03-18
Gerrit Code Review
Merge "Merge branch release-2016"
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2017-03-14
Mark Abraham
Merge branch release-2016
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2017-03-09
Szilárd Páll
Fix mdrun hanging upon exit with sep PME ranks
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2017-03-04
Teemu Murtola
Remove MDModules use from mdlib
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2017-03-04
Teemu Murtola
Split md module facets to different interfaces
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2017-02-27
Teemu Murtola
Remove module references from t_inputrec
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2017-02-15
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-02-09
Mark Abraham
Improved state_change_natoms and used it more
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2017-02-08
Gerrit Code Review
Merge "Merge branch release-2016"
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2017-02-07
Mark Abraham
Merge branch release-2016
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2017-02-05
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-01-31
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-01-30
Mark Abraham
Don't print invalid performance data
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2017-01-23
Mark Abraham
Stopped header files including state.h
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2017-01-21
Mark Abraham
Removed init_state
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2017-01-14
Mark Abraham
Merge branch release-2016
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2017-01-11
Roland Schulz
Tidy: modernize-use-nullptr
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2017-01-03
Mark Abraham
Merge branch release-5-1 into release-2016
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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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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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biod.pnpi.spb.ru / alexxy / gromacs.git / history