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added Verlet scheme and NxN non-bonded functionality
[alexxy/gromacs.git]
/
src
/
mdlib
/
domdec_top.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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2011-06-10
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2011-06-07
Mark Abraham
Fixed spelling of reproducible
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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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2010-06-09
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-05-07
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-02
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-04-29
Berk Hess
Merge commit 'origin/master' into 2dpme
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2010-04-29
Berk Hess
fixed posres allocation issue
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2010-04-27
Berk Hess
resolved merge conflicts
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2010-03-12
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-03-07
Roland Schulz
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
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2010-03-01
Berk Hess
split off chargegroup.c from pbc.c and tpi.c from minim...
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2010-02-05
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-02-03
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-02-03
Berk Hess
renamed ga2la_home to ga2la_get_home, added ga2la_is_home
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2010-01-26
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-01-25
Berk Hess
added missing cmap_grid copy in dd_init_local_top
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2010-01-22
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-22
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-22
Michael Shirts
A variety of changes to correctly do checkpointing...
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2010-01-19
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-13
Carsten Kutzner
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-11
Michael Shirts
changes the nnhchains name to nhchainlength
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2010-01-11
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
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2010-01-11
Berk Hess
made separate arrays for NH pressure variables
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2010-01-07
Michael Shirts
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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2010-01-07
Berk
fixed a bug with DD bondcomm (multi-body cut-off longer...
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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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2009-12-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-23
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-22
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-21
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-21
Carsten Kutzner
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-21
unknown
Fixed indexing typo, and definition of Suzuki-Yashida...
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2009-12-20
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-20
Michael Shirts
Fixed an issue with checkpointing not getting the first...
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2009-09-09
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
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2009-08-31
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-08-30
kasson
Tool merge
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2009-08-30
Erik Lindahl
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-08-27
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2009-08-27
Per Larsson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-08-27
Per Larsson
Added support for pbc with GB
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2009-08-21
Sander Pronk
Merge branch 'thread_mpi'. Threads should work for...
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2009-06-22
Berk Hess
removed memory allocation and print for (non existing...
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2009-06-17
Sander Pronk
Merge branch 'thread_mpi'
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2009-06-17
Berk Hess
removed static variables
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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
hess
updated for C++ compilation
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2009-05-18
hess
fixed for vacuum DD
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2009-05-18
hess
implemented vacuum simulations with DD
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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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2008-12-18
hess
fixed segv for systems without bonded interactions...
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2008-12-18
hess
fixed segv for systems without bonded interactions...
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2008-12-01
hess
moved the merging of the F_CONSTRNC ilist into the...
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2008-11-25
hess
corrected nrngi for SD/BD simulations with separate...
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2008-11-25
hess
corrected nrngi for SD/BD simulations with separate...
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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
fixed compiler warnings
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2008-11-22
hess
added interaction type and atoms prints to the maximum...
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2008-08-28
hess
fixed the formatting of the whole file
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2008-08-28
hess
fixed a bug in the initial bonded distance calculation...
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2008-08-28
hess
fixed cut-off bugs introduced recently (could not produ...
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2008-08-27
lindahl
Added copyright headers to domdec implementations.
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2008-08-22
hess
added exclusions for previous commit
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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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2008-08-20
hess
fixed incorrect missing atoms print and incorrect fatal...
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2008-08-12
hess
introced a new structure for the local topology in...
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2008-08-07
hess
updated the missing interaction atoms print
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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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2008-07-24
hess
implemented velocity rescaling thermostat and fixed...
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2008-07-21
hess
implemented mpi_scatterv and mpi_gatherv for coordinate...
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2008-06-11
hess
added ilist sorting to put free energy bondeds at the...
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2008-05-29
hess
fixed a bug which could cause a crash in the error...
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2008-04-15
hess
fixed checkpointing for parallel SD simulations
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2008-04-11
hess
implemented checkpoint files
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2008-03-18
hess
The PME grid is now automatically enlarged when it...
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2008-03-07
hess
reorganized the pbc code, there is now an extra pbc_dx...
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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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2008-02-02
hess
removed a array from t_block for cgs and mols, renamed...
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2008-02-01
hess
made SHAKE within charge groups work with domain decomp...
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2008-01-30
hess
added optimizations for intra-cg interactions
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2008-01-29
hess
distances for two body bonded interactions can now...
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2008-01-29
hess
fixed several bugs which could lead to missing bonded...
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