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added Verlet scheme and NxN non-bonded functionality
[alexxy/gromacs.git]
/
src
/
mdlib
/
nsgrid.c
2012-10-02
Szilard Pall
added Verlet scheme and NxN non-bonded functionality
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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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2010-06-18
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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2010-06-17
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-16
kasson
Merge branch 'mymaster'
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2010-06-12
David van der Spoel
Fixed a lot of spelling errors in comments and document...
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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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2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
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2010-03-01
Berk Hess
split off warninp.c with input reading warning routines...
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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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2009-06-24
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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2009-06-04
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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2009-05-26
hess
made simuations without cut-off work with DD
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2009-05-20
hess
fixed performance issue for vacuum with DD
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2009-05-19
hess
some minor fixes for unbound systems with DD
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2009-05-18
hess
implemented vacuum simulations with DD
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2009-05-14
hess
fixed crash for DD with empty DD cells, introduced...
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2009-04-28
hess
implemented grid neighbor searching without pbc, does...
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2009-04-08
hess
replaced the word zone by cell for domain decomposition...
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2008-07-25
hess
removed c++ style comments
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2008-06-26
hess
fix ns bug with 1D domain decomposition and box_yx...
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2008-01-25
hess
moved all ring communication routines to partdec.c...
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2008-01-24
hess
added debug prints
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2008-01-17
hess
implemented automated DD grid and PME node selection
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2008-01-09
hess
fixed a bug when the local grid size with DD more than...
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2007-10-15
hess
implemented multi-pulse DD communication and fixed...
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2007-07-10
hess
made log file printing on non-master nodes optional...
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2007-05-24
hess
fixed the algorithm for determining the number of grid...
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2007-05-23
hess
the number of ns grid cells is now determined from...
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2007-05-22
hess
set the minium number of grid cell per dd cell to 2
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2007-05-22
hess
changed the ndelta to setting the number of cells per...
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2007-05-21
hess
fixed slow memory reallocation, especially at the start...
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2007-05-18
hess
replaced fr->solvent_opt by fr->cginfo, which also...
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2007-05-11
hess
fixed bug with DD introduced in the previous commit
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2007-05-09
hess
removed all static variables from ns.c and put put...
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2007-03-01
hess
removed unused dd function call
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2007-02-13
hess
added pbc=xy and walls, added a separate mdp option...
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2007-01-02
hess
removed the nsb struct and moved all the particle decom...
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2006-12-08
hess
implemented tabulated bonded potentials
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2006-11-29
hess
fixed several bugs in the dynamic load balancing
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2006-11-20
hess
implemented cut-off checks for DD dynamic load balancing
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2006-11-09
hess
implemented full dynamic load balancing
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2006-11-06
hess
now the problem of the previous commits should really...
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2006-11-06
hess
fix for the last commit
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2006-11-06
hess
with DD cgs that are further that further than the...
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2006-10-27
hess
implemented some stuff for full dynamic load balancing
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2006-10-24
hess
implemented static DD load balancing
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2006-10-19
hess
implemented triclinic domain decomposition
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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
removed check for grid->nr==0 to allow for empty DD...
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2006-08-25
hess
fixed a bug introduced in the previous commit
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2006-08-25
hess
cleaned fill_grid up a bit
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2006-08-25
hess
fixed rounding issues in the grid assignment that cause...
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2006-08-24
hess
fixed error of 1 in an allocation size check
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2006-05-17
spoel
Removed C++ style comments
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2006-04-19
lindahl
fatal.h clashes with system headers on AIX. Renamed...
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2006-02-22
spoel
Write debug output to debug file rather than to the...
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2006-02-03
hess
added two new pair types for free-energy decoupling...
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2006-01-26
hess
made the domain decompostion a bit more efficient and...
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2006-01-20
hess
implemented parallel replica exchange
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2006-01-16
hess
Domain decomposition is now done before each ns and...
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2005-12-22
hess
first commit of my domain decomposition code
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2005-09-12
carsten
Carsten: added PME-PP node splitting for parallel runs
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2004-12-03
hess
forgot to update one message in the previous commit
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2004-12-03
hess
changed the error message for ncells=0
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2004-09-06
spoel
Replaced the fatal_error routine by a more flexible...
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2004-01-26
lindahl
Made grid error message more verbose, and added a separ...
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2004-01-23
lindahl
Added conditional inclusion of config.h to source files.
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2003-11-17
spoel
Upped the version to 3.2.0
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2002-11-06
lindahl
Partial commit of the project to remove all static...
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2002-02-28
spoel
Renamed pull-internal.h to pull_internal.h
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2001-05-14
lindahl
Tagged files with gromacs 3.0 header
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2000-09-14
hess
Committed the new innerloops for Erik Lindahl
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2000-07-20
spoel
Fixed a bug in gridfirst in which a SEGV could occur...
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2000-03-03
spoel
Added function done_grid to release memory
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1999-11-03
hess
copyrgted
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1999-05-14
hess
moved from gmxlib to mdlib
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biod.pnpi.spb.ru / alexxy / gromacs.git / history