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Tidy: modernize-use-nullptr
[alexxy/gromacs.git]
/
src
/
programs
/
mdrun
/
runner.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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2016-12-07
Mark Abraham
Merge branch release-2016
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2016-12-01
Aleksei Iupinov
Move GPU assignment functions into a separate file
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2016-11-23
Berk Hess
Convert energyhistory_t to use std::vector
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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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2016-10-15
Berk Hess
Move energyhistory_t out of t_state
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2016-10-09
Mark Abraham
Merge branch release-2016
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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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2016-09-15
Aleksei Iupinov
Move the PME Ewald coefficients to the PME structure
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2016-09-10
Aleksei Iupinov
Fix PME data destructor not being called
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2016-09-08
Mark Abraham
Merge branch release-5-1 into 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
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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2016-07-11
Mark Abraham
Fix gmx mdrun -membed -ntmpi -1
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2016-07-11
Erik Lindahl
Fix membed with partial revert of 29943f
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2016-07-09
Erik Lindahl
Hardware detection clean-up and pre/post-processing
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2016-07-08
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-07-07
Mark Abraham
Move consistency check for number of threads
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2016-06-30
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-06-27
Teemu Murtola
Factory for creating t_inputrec
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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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2016-06-19
Berk Hess
Remove warnings on checkpoint mismatch
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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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2016-05-26
Mark Abraham
Merge branch release-2016
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2016-05-24
Teemu Murtola
Tests for single-rank thread affinity setting
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2016-05-21
Teemu Murtola
Pass number of local threads to thread affinity
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2016-05-21
Teemu Murtola
Use only HardwareTopology for thread affinity
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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
Roland Schulz
Tune nstlist increase for KNL
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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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biod.pnpi.spb.ru / alexxy / gromacs.git / history