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added Verlet scheme and NxN non-bonded functionality
[alexxy/gromacs.git]
/
include
/
domdec.h
2012-10-02
Szilard Pall
added Verlet scheme and NxN non-bonded functionality
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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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2012-05-07
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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2012-04-03
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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2011-01-30
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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2010-07-28
Christoph Junghans
Merge branch 'master' of git://git.gromacs.org/gromacs
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2010-07-28
Berk Hess
renamed pme_maxshift0/1 to pme_maxshift_x/y
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2010-07-10
Michael Shirts
Fixed minor formatting conflict.
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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
Berk
fixed weak scaling performance which was hampered to...
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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
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
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2010-06-29
Berk
fixed PME communication issues with 1xNxM DD grid
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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@git.gromacs.org:gromacs
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2010-05-07
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-07
Berk Hess
Merge commit 'origin/2dpme'
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2010-04-30
Berk Hess
Merge commit 'origin/master' into 2dpme
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2010-04-29
Berk Hess
Merge commit 'origin/master' into 2dpme
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2010-04-27
Berk Hess
resolved merge conflicts
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2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
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2010-01-19
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-07
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
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2010-01-04
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-04
Berk Hess
fixed the sorting of 1-4 FE interactions for foreign...
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2009-12-20
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-16
Roland Schulz
Merge commit 'origin/master' into 2dpme
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2009-12-15
Berk Hess
Merge commit 'origin/master' into 2dpme
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2009-12-15
Berk Hess
Merge commit 'origin/master' into 2dpme
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2009-12-15
Berk Hess
merge with master
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2009-12-09
Berk Hess
Merge commit 'origin/master' into 2dpme
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2009-12-05
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-02
Berk Hess
Merge commit 'origin/master' into 2dpme
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2009-11-30
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-30
Erik Lindahl
Inital 2D PME decomposition changes
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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
Roland Schulz
C++ fixes part2; extern C fixes in header files a*...
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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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2009-09-09
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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2009-07-14
Berk Hess
added mdp parameters nstcalcenergy and rlistlong and...
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2009-06-22
Berk Hess
implemented resetting of all counters and removed the...
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2009-06-18
Sander Pronk
Merge branch 'thread_mpi' of git@git.gromacs.org:gromac...
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2009-06-18
Berk Hess
removed static variables and rearranged some data struc...
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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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2009-06-15
Berk Hess
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-06-15
Berk Hess
changed the global cginfo array to an array per molecul...
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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 warnings when GNU C++ 4.3 is used.
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2009-06-03
hess
updated for C++ compilation
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2009-06-01
hess
implemented the PP PME communication for 2D PME
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2009-05-18
hess
implemented vacuum simulations with DD
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2009-04-21
lindahl
Parallel domain decomposition support for Generalized...
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2009-04-09
hess
replaced the global buf vector by local vectors
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2009-04-08
hess
replaced the word zone by cell for domain decomposition...
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2009-03-24
rschulz
write_dd_pdb if missing interactions
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2009-02-02
hess
changed most step count variables from int to gmx_step_t
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2008-11-22
hess
added interaction type and atoms prints to the maximum...
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2008-11-22
hess
added interaction type and atoms prints to the maximum...
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2008-11-13
hess
implemented routines to communicate a real for each...
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2008-08-27
lindahl
Added copyright headers to domdec header files.
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2008-08-25
hess
implemented automatic dynamic load balancing option
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2008-08-22
hess
implemented automated DD bonded distance cut-off (...
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2008-08-21
hess
implemented special bonded atom communication when...
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2008-08-12
hess
introced a new structure for the local topology in...
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2008-08-05
hess
t_topology is now partially replaced by gmx_mtop_t...
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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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2008-06-12
hess
changed atom number prints in bonded interactions to...
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2008-06-06
hess
partial implementation for 2D PME decomposition and...
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2008-03-18
hess
The PME grid is now automatically enlarged when it...
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2008-03-04
hess
added -ddbc option to control the check for all bonded...
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2008-02-28
hess
fixed bug with DD and energy minimization
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2008-02-20
hess
added a proper ddp_count state indicator for the cg...
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2008-02-14
hess
added mdrun option -dds to set the scaling margin for dlb
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2008-02-01
hess
made SHAKE within charge groups work with domain decomp...
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2008-01-29
hess
distances for two body bonded interactions can now...
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