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added Verlet scheme and NxN non-bonded functionality
[alexxy/gromacs.git]
/
include
/
types
/
commrec.h
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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2012-06-01
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-06-01
Christoph Junghans
Merge "Replace our fftpack version with Numpy's version...
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2012-05-29
Sander Pronk
Removed dependency on windows.h through commrec.h,...
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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
Resolving a couple of clang analyzer warnings
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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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2011-01-30
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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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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2010-07-30
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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2010-07-10
Michael Shirts
Fixed minor formatting conflict.
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2010-07-08
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-07
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-07
David van der Spoel
Fixed miserable bug in commrec.h where an int array...
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2010-07-05
Maarten Wolf
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-07-05
Sander Pronk
Fixed header files to be able to link 3d party code...
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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
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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2010-05-16
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-05-16
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-10
Roland Schulz
always define MPI_Comm, MPI_Request, MPI_Group to avoid...
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2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
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2009-12-20
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-05
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-30
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-27
Roland Schulz
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-27
Sander Pronk
C++ fixes: fixed 'extern "C"' in header files m-z.
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2009-11-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-10-16
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-10-06
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
Roland Schulz
minor bug fix to Sanders commit for In_place (one ...
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2009-09-10
Sander Pronk
fixed failed commit
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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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2009-09-09
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2009-09-07
Roland Schulz
renamed gmx_step_t to gmx_large_int_t. gmx_large_int_t...
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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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2009-08-19
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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2009-07-01
Sander Pronk
changed cmake/configure GMX_THREADS/GMX_THREAD_SHM_FDEC...
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2009-06-27
Sander Pronk
atoi/atof are not thread-safe: replaced all instances...
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2009-06-24
Sander Pronk
Merge branch 'thread_mpi' of git@git.gromacs.org:gromac...
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2009-06-24
Sander Pronk
Many thread-safety fixes in mdlib; better error reporti...
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2009-06-17
Sander Pronk
Merge branch 'thread_mpi'
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2009-06-17
Sander Pronk
intial commit of thread_mpi (compiles, but does not...
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2009-06-12
Berk Hess
implemented a low memory usage global to local atom...
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2009-06-04
Erik Lindahl
Removed Id tags from master branch since they will...
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2009-06-03
lindahl
Fixed extern C definitions on nonbonded kernels to...
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2009-05-18
hess
implemented vacuum simulations with DD
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2009-05-08
lindahl
New routines for basic thread operations and atomic...
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2009-05-08
lindahl
Basic thread primitives.
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2009-04-08
hess
replaced the word zone by cell for domain decomposition...
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2009-02-02
hess
changed most step count variables from int to gmx_step_t
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2008-08-25
hess
implemented automatic dynamic load balancing option
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2008-07-28
hess
removed the global indices for the lincs code, now...
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2008-07-21
hess
implemented mpi_scatterv and mpi_gatherv for coordinate...
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2008-03-18
hess
The PME grid is now automatically enlarged when it...
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2008-03-11
hess
implemented screw pbc
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2008-02-20
hess
added a proper ddp_count state indicator for the cg...
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2008-01-28
hess
moved sim_nodeid from gmx_domdec_t to commrec_t and...
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2008-01-25
hess
moved all ring communication routines to partdec.c...
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2008-01-08
hess
implemented domain decomposition for steep and cg
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2007-11-16
hess
made the shell code compatible with domain decompositio...
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2007-11-08
hess
Improved the performance of the gmx_sum routines on...
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2007-10-15
hess
implemented multi-pulse DD communication and fixed...
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2007-08-10
hess
added an extra LINCS expansion for only the constraint...
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2007-05-04
hess
added check for npme > ndd and modified several DD...
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2007-04-20
hess
fixed the MULTIMASTER macro
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2007-03-05
hess
implemented Cartesian communication for PP+PME
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