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added Verlet scheme and NxN non-bonded functionality
[alexxy/gromacs.git]
/
src
/
kernel
/
mdrun.c
2012-10-02
Szilard Pall
added Verlet scheme and NxN non-bonded functionality
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2012-10-01
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-09-03
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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2012-07-13
Roland Schulz
Merge release-4.5-patches into HEAD
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2012-06-04
Michael Shirts
Merging in free energy, exp. ensemble, & andersen t...
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2012-06-01
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-06-01
Christoph Junghans
Merge "Use External BLAS/LAPACK by default" into releas...
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2012-05-29
Christoph Junghans
Merge "Revised g_tune_pme" into release-4-6
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2012-05-27
David van der Spoel
Merge "added explicit sqrtf to the float version of...
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2012-05-25
Roland Schulz
Merge "fixed [dd] and [TT] typos in documentation of...
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2012-05-25
David van der Spoel
Merge "grompp now retains the order of bonds converted...
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2012-05-25
Martin Hoefling
fixed [dd] and [TT] typos in documentation of mdrun...
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2012-05-25
Christoph Junghans
Merge "Fix that sigaction mask wasn't zeroed" into...
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2012-05-24
Berk Hess
now mdrun always initializes MPI
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2012-05-09
Christoph Junghans
Merge "Backporting "moving membed to mdrun" from master...
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2012-05-08
Maarten Wolf
Backporting "moving membed to mdrun" from master
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2012-05-07
Teemu Murtola
Merge branch 'gerrit/release-4-5-patches' into release-4-6
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2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-04-26
Berk Hess
Merge "Merge release-4-5-patches into release-4-6"...
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2012-04-26
Berk Hess
Merge release-4-5-patches into release-4-6
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2012-04-26
Szilárd Páll
Merge "fixed initial COM motion removal with multiple...
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2012-04-26
David van der Spoel
Merge "Various improvements to shell code" into release...
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2012-04-24
Berk Hess
Merge "allow -append to overrule unsupported file locki...
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2012-04-23
Christoph Junghans
Merge "compiler flag fixes" into release-4-6
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2012-04-22
Roland Schulz
Merge "enable command line option cheking in mdrun...
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2012-04-18
Berk Hess
allow -append to overrule unsupported file locking
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2012-04-15
Szilard Pall
enable command line option cheking in mdrun
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2012-04-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-03-28
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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2012-03-18
David van der Spoel
Merge "Fix typo in Clang CFlags" into release-4-5-patches
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2012-03-18
David van der Spoel
Merge "Merge release-4-5-patches into release-4-6"...
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2012-03-16
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-03-12
Christoph Junghans
Merge "More editorial fixes to tool documentation"...
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2012-03-12
Teemu Murtola
Merge "Made description string for g_select -select...
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2012-03-09
David van der Spoel
Merge "Improved cryptic error message" into release...
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2012-03-09
Carsten Kutzner
Merge "Improved warning note with DD and periodic molec...
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2012-03-09
Mark Abraham
More editorial fixes to tool documentation
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2012-03-09
Mark Abraham
Editorial changes to tools documentation
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2012-02-29
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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2012-02-23
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-02-09
Szilard Pall
renamed GMX_THREADS to GMX_THREAD_MPI
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2012-02-08
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-02-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-01-19
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-01-13
Roland Schulz
Merge "Fixed MSVC compiling with plug-in support" into...
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2012-01-10
Christoph Junghans
Adds AdResS feature to gromacs
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2011-12-26
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2011-12-20
Roland Schulz
Merge release-4-5-patches into release-4-6
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2011-12-19
Carsten Kutzner
Enforced rotation
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2011-12-08
Roland Schulz
Merge "Added an option to easily compile contrib progra...
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2011-11-30
Roland Schulz
Merge "Merge remote-tracking branch 'gerrit/release...
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2011-11-27
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2011-10-20
Christoph Junghans
Merge "Fixes for GB kernel" into release-4-5-patches
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2011-10-06
Berk Hess
fixed segv in parallel replica exchange
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2011-09-16
Erik Lindahl
Merge "made allocation for LINCS with particle decompos...
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2011-09-15
Berk Hess
mdrun -multi -cpi now checks if simulations parts are...
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2011-05-05
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2011-04-20
Sander Pronk
Revert "NUMA aware memory allocators get called (for...
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2011-04-20
Sander Pronk
NUMA aware memory allocators get called (for Windows).
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2011-04-04
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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2011-03-23
Justin Lemkul
Tons of small fixes to documentation.
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2011-03-11
Sander Pronk
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2011-03-10
Sander Pronk
Added documentation for multidir.
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2011-03-10
Sander Pronk
Added more support for multidir.
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2011-01-30
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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2011-01-26
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2011-01-23
Mark Abraham
Improved consistency of text style usage
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2010-11-05
Szilard Pall
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-11-04
Berk Hess
Fixed md.log being opened twice when appending, which...
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2010-09-01
Rossen Apostolov
Small update of the GPU related documentation.
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2010-09-01
Rossen Apostolov
Small update of the GPU related documentation.
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2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
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2010-08-17
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-17
Michael Shirts
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2010-08-16
Berk Hess
fixed fatal error in mdrun file appending with -multi...
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2010-07-19
Berk Hess
fixed mdrun append check when requested output file...
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2010-07-10
Michael Shirts
Fixed minor formatting conflict.
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2010-06-30
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-06-29
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-29
Teemu Murtola
mdrun again prints copyright notice to stderr.
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2010-06-28
Berk Hess
renamed mdrun -cptnum to -cpnum
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2010-06-28
Berk Hess
added mdrun -cptnum option to keep and number checkpoints
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2010-06-20
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-18
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-06-17
Maarten Wolf
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-17
Berk Hess
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-17
Per Larsson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-17
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-16
kasson
Merge branch 'mymaster'
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2010-06-16
Rossen Apostolov
Small cleanup of the openmm section in mdrun.c
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2010-06-16
Berk Hess
restored the old order of the mdrun option and removed...
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2010-06-16
Rossen Apostolov
Merge branch 'master' of git.gromacs.org:gromacs
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2010-06-16
Rossen Apostolov
Fixed the command line options for GPU binaries.
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2010-06-14
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-06-14
David van der Spoel
Added more fixes in comment texts, generously provided...
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2010-06-11
Sander Pronk
Merge branch 'threadspawn'
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2010-06-11
Sander Pronk
Number of threads is now also determined by system...
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2010-06-09
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-06-07
Erik Marklund
Merge branch 'master' of git@git.gromacs.org:gromacs
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