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Added multisimulation info to log/output
[alexxy/gromacs.git]
/
src
/
programs
/
mdrun
/
runner.c
2014-06-24
Erik Lindahl
Added multisimulation info to log/output
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2014-06-06
Mark Abraham
Merge release-4-6 into release-5-0
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2014-05-27
Roland Schulz
Merge release-4-6 into release-5-0
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2014-05-22
Berk Hess
Avoid energy drift with verlet-buffer-tolerance
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2014-05-10
Roland Schulz
Merge release-4-6 into release-5-0
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2014-04-29
Mark Abraham
Merge branch release-4-6 into release-5-0
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2014-04-10
Mark Abraham
Merge branch 'release-4-6' into release-5-0
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2014-04-01
Teemu Murtola
Move smalloc.h to utility/
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2014-03-26
Martin Hoefling
Interactive Molecular Dynamics (IMD)
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2014-03-24
Teemu Murtola
Remove gmxpreprocess from include path
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2014-03-23
Mark Abraham
Merge branch release-4-6
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2014-03-23
Mark Abraham
Fix print_date_and_time
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2014-03-18
Roland Schulz
Fix dependencies on config.h for typedefs.h
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2014-03-17
Mark Abraham
Merge branch release-4-6
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2014-03-03
Roland Schulz
Merge release-4-6 into master
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2014-02-26
Berk Hess
Free-energy now works with the Verlet scheme
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2014-02-26
Roland Schulz
Replace all mdrun rngs with cycle based rng
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2014-02-26
Mark Abraham
Add ThreadSanitizer build type
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2014-02-24
Berk Hess
Implemented LJ-PME nbnxn kernels
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2014-02-21
Roland Schulz
Merge release-4-6 into master
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2014-02-20
Mark Abraham
Remove particle decomposition
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2014-02-19
Berk Hess
Implemented nbnxn LJ switch functions
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2014-02-18
Mark Abraham
Fix outstanding references to "CPU acceleration"
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2014-02-18
Mark Abraham
Fix harmless bug with combination of group and twin...
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2014-02-09
Mark Abraham
Move orientation restraints checks inside init function
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2014-02-02
Roland Schulz
Merge release-4-6 into master
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2014-01-29
Berk Hess
Automated Verlet rlist for NVE simulations
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2014-01-28
Mark Abraham
Merge branch 'release-4-6'
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2014-01-28
Carsten Kutzner
Allow for "computational electrophysiology" simulations...
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2014-01-13
Carsten Kutzner
Move pull code to separate subdirectory
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2014-01-11
Carsten Kutzner
Move essential dynamics / flooding code to separate...
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2014-01-09
Roland Schulz
Merge release-4-6 into master
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2014-01-01
Roland Schulz
Merge release-4-6 into master
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2013-12-28
Teemu Murtola
Change use of compiler flags with GPU + C++11
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2013-12-23
Roland Schulz
Replace gmx_large_int_t with gmx_int64_t
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2013-12-20
Teemu Murtola
Move Program() and ShortProgram() into copyrite.h
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2013-12-02
Berk Hess
Renamed verlet-buffer-drift to verlet-buffer-tolerance
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2013-12-02
Roland Schulz
Merge "Merge branch 'release-4-6'"
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2013-12-02
Christian Wennberg
Calculating LJ-interactions using Particle mesh Ewald
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2013-12-02
Mark Abraham
Merge branch 'release-4-6'
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2013-12-01
Mark Abraham
Turn on -Wunused-parameter where applicable
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2013-12-01
Teemu Murtola
Adjust more copyright headers
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2013-11-28
Teemu Murtola
Move gmx_omp.* into src/gromacs/utility/
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2013-11-26
Teemu Murtola
Remove #ifdef GMX_THREAD_MPI for basic thread safety.
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2013-11-15
Erik Lindahl
Merge "Merge branch release-4-6"
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2013-11-15
Mark Abraham
Merge branch release-4-6
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2013-10-31
Teemu Murtola
Move more timing routines into timing/.
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2013-10-30
Mark Abraham
Merge "Merge release-4-6 into master"
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2013-10-30
Roland Schulz
Merge release-4-6 into master
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2013-10-28
Mark Abraham
Create fileio module
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2013-10-26
Mark Abraham
Encapsulate gmx_wallclock_accounting_t into new timing...
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2013-10-26
Mark Abraham
Cleaned up run time measurement
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2013-10-26
Mark Abraham
Added documentation for gmx_runtime_t struct
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2013-10-23
Mark Abraham
Merge branch release-4-6 into master
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2013-10-04
Mark Abraham
Further consolidation of commrec initialization
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2013-09-26
Teemu Murtola
Merge "Merge branch release-4-6"
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2013-09-26
Mark Abraham
Merge branch release-4-6
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2013-09-23
Teemu Murtola
Merge "Merge branch 'release-4-6'"
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2013-09-20
Mark Abraham
Merge branch 'release-4-6'
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2013-09-20
Teemu Murtola
Merge branch 'release-4-6'
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2013-07-26
Mark Abraham
Merge branch release-4-6 into master
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2013-07-25
Alexey Shvetsov
mdlib: clean up -Wunused-parameter warnings
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2013-07-24
Roland Schulz
Merge "Merge branch release-4-6 into master"
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2013-07-24
Mark Abraham
Merge branch release-4-6 into master
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2013-07-18
Alexey Shvetsov
gmxlib: clean up -Wunused-parameter warnings
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2013-07-03
Teemu Murtola
Switch remaining main() functions and copyrite.c to...
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2013-06-27
Roland Schulz
Merge branch 'release-4-6' into master
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2013-06-27
Roland Schulz
Merge branch 'release-4-6' into master
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2013-05-24
Teemu Murtola
Merge branch 'release-4-6'
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2013-05-21
Roland Schulz
Merge release-4-6 into master
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2013-03-22
Roland Schulz
Fix problems with intel-mpi
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2013-03-20
Roland Schulz
Merge release-4-6 into master
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2013-02-26
Roland Schulz
Merge release-4-6 into master
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2013-02-13
Roland Schulz
Merge release-4-6 into master
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2013-02-13
Roland Schulz
Merge release-4-6 into master
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2013-02-13
Roland Schulz
Code beautification with uncrustify
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2013-01-21
Roland Schulz
Merge release-4-6 into master
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2013-01-20
Roland Schulz
Merge release-4-6 into master
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2013-01-15
Roland Schulz
Merge release-4-6 into master
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2012-12-20
Roland Schulz
Merge release-4-6 into master
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2012-12-13
Christoph Junghans
Merge "Extended genbox to insert molecules at given...
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2012-12-12
Roland Schulz
Merge release-4-6 into master
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2012-12-03
Roland Schulz
Merge release-4-6 into master
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2012-11-25
Roland Schulz
Merge release-4-6 into master
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2012-11-19
Roland Schulz
Merge 'release-4-6' into master
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2012-11-12
Roland Schulz
Merge release-4-6 into master
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2012-11-10
Roland Schulz
Merge release-4-6 into master
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2012-11-09
Roland Schulz
Merge origin/release-4-6 into master
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2012-11-03
Roland Schulz
Merge release-4-6 into master
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2012-10-25
Roland Schulz
Merge remote-tracking branch 'origin/release-4-6' into...
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2012-10-19
Roland Schulz
Merge branch 'release-4-6'
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2012-10-17
Roland Schulz
Merge branch 'release-4-6'
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2012-10-17
Roland Schulz
Merge branch 'release-4-6', adds the nbnxn functionality
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2012-10-04
Roland Schulz
Merge release-4-6 into master
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2012-10-01
Roland Schulz
Merge release-4-6 into master
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2012-07-26
Roland Schulz
Merge remote-tracking branch 'origin/release-4-6' into...
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2012-07-26
Christoph Junghans
Merge changes I33cd59e6,I8a2e539f
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2012-07-24
Teemu Murtola
Merge remote-tracking branch 'gerrit/release-4-6'
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2012-07-10
Roland Schulz
Merge remote-tracking branch 'origin/release-4-6' into...
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2012-06-24
Roland Schulz
Merge remote-tracking branch 'origin/release-4-6'
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