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added Verlet scheme and NxN non-bonded functionality
[alexxy/gromacs.git]
/
src
/
gmxlib
/
main.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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2012-09-24
Kasson
Merge "Fixed segfault with FE code for older tpr files...
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2012-09-17
Mark Abraham
Made construction of parallel filenames less noisy
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2012-09-03
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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2012-07-29
Roland Schulz
Fix Segfaults in Genion
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2012-07-13
Roland Schulz
Merge release-4.5-patches into HEAD
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2012-06-24
Michael Shirts
Merge "Fix mdp_opt formatting of expanded ensemble...
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2012-06-22
Christoph Junghans
Merge "Simple patch for openmm_wrapper.cpp" into releas...
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2012-06-16
Erik Lindahl
New CPU detection & AVX/SSE code, removed raw assembly...
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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
David van der Spoel
Merge "grompp now retains the order of bonds converted...
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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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2012-05-08
Roland Schulz
Fixing more Clang warnings
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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 release-4-5-patches into release-4-6
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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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2012-04-17
Mark Abraham
Added Windows-specific #defines, and use them
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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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2012-03-16
Roland Schulz
Merge release-4-5-patches into release-4-6
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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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2011-09-16
Erik Lindahl
Merge "made allocation for LINCS with particle decompos...
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2011-09-13
Berk Hess
Merge "Remove segv in xpm2ps, fixes #611" into release...
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2011-09-06
Mark Abraham
Fix bug with large ints without MPI_IN_PLACE
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2011-05-05
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2011-04-04
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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2011-03-17
Sander Pronk
Various fixes for Windows builds.
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2011-03-16
Sander Pronk
mdrun -multi, multidir and replica exchange now exchang...
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2011-03-10
Sander Pronk
Added more support for multidir.
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2011-03-05
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2011-03-03
Sander Pronk
Replaced strdups with gmx_strdups so that they can...
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2011-01-30
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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2010-11-18
David van der Spoel
Made printing in check_multi_init conditional, dependin...
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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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2010-09-16
kyleb
Changed gmx_log_open to fix FAH Checkpointing; see...
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2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
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2010-08-23
Rossen Apostolov
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-22
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-22
Erik Lindahl
Cleaned up all installed headers to remove strict depen...
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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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2010-08-10
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-09
Berk Hess
made mdrun -seppot work with threads and -seppot now...
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2010-07-30
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-30
Erik Lindahl
Replaced non-thread-safe calls to ctime() with our...
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2010-07-30
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-30
Berk
commented out nthreads and threadid in t_commrec to...
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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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2010-06-11
Sander Pronk
Fixed an allocation error during thread spawns.
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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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2010-04-27
Berk Hess
resolved merge conflicts
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2010-04-04
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-03-21
Berk
fixed compilation problem without thread support
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2010-03-21
Sander Pronk
Auto-cancels threads for non-parallel integrators.
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2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
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2009-12-06
Erik Lindahl
Merge branch 'release-4-0-patches' of git.gromacs.org...
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2009-12-05
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-10
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-09
Berk
Merge branch 'release-4-0-patches' of git@git.gromacs...
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2009-11-09
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
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2009-11-08
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-06
Berk Hess
added check for MPI support in init_multisystem
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2009-11-06
Berk Hess
added check for MPI support in init_multisystem
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2009-10-25
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-10-21
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2009-10-20
Roland Schulz
md5sum and locking for appending of files
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2009-10-16
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-10-12
Sander Pronk
Cleaned up parallel detection in pme & other places.
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2009-10-06
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
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2009-10-06
Sander Pronk
fixed minor initialization issues in pme and commrec.
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2009-09-23
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-09-14
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-09-14
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2009-09-12
Roland Schulz
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-09-10
Sander Pronk
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-09-10
Sander Pronk
Added --disable-mpi-in-place option for crappy MPI...
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2009-09-09
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
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2009-08-30
kasson
Tool merge
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2009-08-27
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-08-21
Sander Pronk
Merge branch 'thread_mpi'. Threads should work for...
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2009-08-20
Sander Pronk
newer thread_mpi: more documentation and better windows...
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2009-08-19
unknown
Compiles in MSVC with cmake
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2009-08-19
Sander Pronk
removed *s files, improved cmake/configure thread detection
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2009-08-19
Sander Pronk
Added full thread_mpi library, it may even compile...
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