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Add dynamic pair-list pruning framework
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
forcerec.cpp
2017-08-16
Berk Hess
Add dynamic pair-list pruning framework
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2017-08-15
Berk Hess
Use graph with orientation restraints
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2017-08-09
Roland Schulz
Use table Ewald for Skylake
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2017-08-06
Mark Abraham
Decouple task assignment from task execution
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2017-07-18
Mark Abraham
Eliminated pick_nbnxn_resources
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2017-07-07
Mark Abraham
Refactor error handling in init_gpu
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2017-07-04
Mark Abraham
Clean up pick_nbnxn_resources
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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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2017-06-22
Mark Abraham
Replace misnamed nbnxn_gpu_acceleration_supported
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2017-06-12
Aleksei Iupinov
Store a physical node communicator in t_commrec
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2017-05-09
Mark Abraham
Merge branch release-2016
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2017-04-04
Teemu Murtola
Utility functions for formatting string values
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2017-03-31
Mark Abraham
Merge branch release-2016
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2017-03-14
Mark Abraham
Merge branch release-2016
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2017-03-04
Teemu Murtola
Remove MDModules use from mdlib
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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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2017-02-07
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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2017-01-14
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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2016-12-07
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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2016-10-21
Mark Abraham
Update cppcheck support to 1.76.1
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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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2016-10-03
Philip Loche
EW3DC for non-neutral systems
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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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2016-09-02
Berk Hess
Merge branch release-5-1 into release-2016
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2016-08-24
Berk Hess
Fix Ewald surface+3DC corrections
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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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2016-06-17
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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2016-05-27
Mark Abraham
Fix reading of bonded tables
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2016-05-12
Mark Abraham
Merge branch release-5-1 into release-2016
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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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2016-04-19
Szilárd Páll
Move out CUDA profiler triggers from NBNXN
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2016-04-19
Berk Hess
Allow rcoulomb>rvdw with PME
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2016-04-14
Mark Abraham
Merge branch release-5-1
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2016-03-31
Szilárd Páll
Fix multiple tMPI ranks per OpenCL device
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2016-03-22
Berk Hess
LJ combination rule kernels for CUDA
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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
Gerrit Code Review
Merge "Merge branch release-5-1"
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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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2016-02-15
Szilárd Páll
Allow GMX_NB_MIN_CI=0 to be passed
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2016-02-11
Szilárd Páll
Re-enable LJ-PME + Lorentz-Berthelot on GPUs
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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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2016-01-11
Teemu Murtola
Convert more config.h defines to 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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2016-01-04
Mark Abraham
Change GMX_DOUBLE to be always defined
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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
Erik Lindahl
Next-generation SIMD module, reference implementation
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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 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
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 1
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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
Teemu Murtola
Split filenm.*
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