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added Verlet scheme and NxN non-bonded functionality
[alexxy/gromacs.git]
/
src
/
mdlib
/
domdec_con.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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2012-06-01
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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2012-05-24
Teemu Murtola
Merge "Code cleanup to avoid name collisions" into...
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2012-05-17
Teemu Murtola
Merge "Fixing more clang warnings" into release-4-6
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2012-05-16
Roland Schulz
Fixing more clang warnings
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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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2010-04-27
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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2010-03-05
Sander Pronk
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-03-05
Berk Hess
fixed bug in constraints with DD, vacuum and nc=2
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2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
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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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2009-09-03
Berk Hess
fixed compiler warnings
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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
implemented vacuum simulations with DD
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2008-12-01
hess
moved the merging of the F_CONSTRNC ilist into the...
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2008-09-17
hess
introduced local variable dim to make the code more...
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2008-08-29
hess
fixed the formatting
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2008-08-27
lindahl
Added copyright headers to domdec implementations.
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2008-08-25
hess
implemented automatic dynamic load balancing option
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2008-08-07
hess
added missing include
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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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2008-03-18
hess
The PME grid is now automatically enlarged when it...
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2008-03-13
hess
fixed bugs introduced with screw pbc
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2008-03-11
hess
implemented screw pbc
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2008-02-02
hess
removed a array from t_block for cgs and mols, renamed...
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2008-01-28
hess
fixed some messages for the -rcon option
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2008-01-28
hess
moved sim_nodeid from gmx_domdec_t to commrec_t and...
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2007-11-16
hess
made the shell code compatible with domain decompositio...
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2007-10-09
hess
added print of list of missing atoms
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2007-08-10
hess
added an extra LINCS expansion for only the constraint...
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2007-08-06
hess
added some comments
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2007-05-21
hess
removed the last linear reallocation from the DD code
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2007-05-21
hess
fixed slow memory reallocation, especially at the start...
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2007-05-03
hess
fixed incorrect vsite force communication with DD with...
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2007-04-18
hess
mdrun now print the conserved energy for NVT Nose-Hoove...
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2007-04-17
hess
implemented recursive vsites for domain decomposition
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2007-03-15
hess
Limited the DD boundary displacement to half a cell...
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2007-03-14
hess
implemented simultaneous 2way communication for constra...
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2007-03-05
hess
fixed the cartesian communication for the particle...
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2007-01-04
hess
added gmx_debug_at conditional for index debug prints
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2007-01-04
hess
prepended dd_ to all external functions
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2006-10-20
hess
removed constraint communication when there are no...
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2006-10-19
hess
fixed bug in the vsite communication code
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2006-10-17
hess
moved the pbc with DD to the dd_move routines, the...
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2006-10-06
hess
implemented inter charge-group vsites with DD
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2006-09-05
hess
added more structure to the domain decomposition code...
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2006-08-17
hess
Finally corrected the problem with DD and PME, which...
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2006-04-27
hess
made domdec_con uses dd_sendrecv calls and added a...
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2006-04-10
hess
change the DD coordinate and force communication to...
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2006-04-07
hess
avoided mpich bug by not uses MPI_STATUS_IGNORE in...
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2006-04-06
hess
removed the static settle data in low_constrain
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2006-04-06
hess
implemented parallel lincs
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biod.pnpi.spb.ru / alexxy / gromacs.git / history