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Merge branch 'release-2018' into master
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
forcerec.cpp
2018-02-08
Aleksei Iupinov
Merge branch 'release-2018' into master
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2018-02-05
Berk Hess
Set cutoff modifiers in forcerec
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2018-01-30
Mark Abraham
Replace macros for multi-sim
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2018-01-23
Mark Abraham
Remove support for implicit solvation
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2018-01-19
Aleksei Iupinov
Merge branch 'release-2018' into master
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2018-01-18
Mark Abraham
Remove support for BlueGene
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2018-01-17
Aleksei Iupinov
Merge branch 'release-2018' into master
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2018-01-17
Berk Hess
Re-enable GPU with walls and 1 energy group
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2018-01-16
Mark Abraham
Merge "Merge release-2018 into master"
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2018-01-16
Roland Schulz
Merge release-2018 into master
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2018-01-11
Mark Abraham
Announce in user log files that features are deprecated.
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2018-01-09
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-22
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-21
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-12-20
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-17
Roland Schulz
Merge branch release-2018
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2017-12-15
Roland Schulz
Revert "Use table Ewald for Skylake"
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2017-12-14
Mark Abraham
Merge "Merge branch release-2016 into release-2018...
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2017-12-12
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-11
Paul Bauer
Disallow combination of PME-user and verlet cutoff
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2017-12-07
Berk Hess
Choose faster nbnxn SIMD kernels on AMD Zen
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2017-12-04
Mark Abraham
Merge branch release-2016 into release-2018
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2017-11-24
Mark Abraham
Separate management of GPU contexts from modules
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2017-11-17
Mark Abraham
Improve handling of PME GPU force buffer
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2017-11-16
Berk Hess
Also print 1x1 pair-list setup to log
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2017-11-02
Mark Abraham
Merge branch release-2016
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2017-10-24
Aleksei Iupinov
Move commrec duty checking into simple getters
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2017-10-21
Berk Hess
Merge "Merge branch release-2016"
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2017-10-21
Aleksei Iupinov
Add calls to the PME GPU stages
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2017-10-20
Mark Abraham
Merge branch release-2016
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2017-10-16
Mark Abraham
Merge branch release-2016
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2017-10-12
Berk Hess
Simplify virial handling
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2017-10-05
Mark Abraham
Continue removing -nb gpu_cpu
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2017-10-04
Berk Hess
Remove a force buffer argument from IForceProvider
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2017-10-03
Szilárd Páll
Move Ewald splitting-related code to ewald-utils
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2017-10-03
Berk Hess
Move calling of special force functions
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2017-10-02
Berk Hess
Remove hybrid gpu+cpu nonbonded mode
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2017-09-17
Mark Abraham
Merge branch release-2016
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2017-09-15
Berk Hess
Remove nb-parameters from t_forcerec
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2017-09-12
Mark Abraham
Merge branch release-2016
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2017-09-12
Szilárd Páll
Merge branch 'release-2016'
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2017-09-07
Mark Abraham
Introduce type-safe GPU emulation variables
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2017-09-06
Mark Abraham
Prepare Verlet scheme later in runner
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2017-09-03
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-08-22
Mark Abraham
Merge branch release-2016
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2017-08-21
Mark Abraham
Moved increase_nstlist() to nbnxn_tuning.h
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2017-08-17
Aleksei Iupinov
Merge "Merge branch release-5-1 into release-2016"...
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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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2017-08-15
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-08-15
Mark Abraham
Fix value of Ewald shift
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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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biod.pnpi.spb.ru / alexxy / gromacs.git / history