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added Verlet scheme and NxN non-bonded functionality
[alexxy/gromacs.git]
/
src
/
mdlib
/
ns.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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2012-06-01
Roland Schulz
Merge release-4-5-patches into release-4-6
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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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2012-02-08
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-02-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-01-19
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-01-13
Roland Schulz
Merge "Fixed MSVC compiling with plug-in support" into...
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2012-01-10
Christoph Junghans
Adds AdResS feature to gromacs
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2011-08-12
Berk Hess
implemented full exclusion support for the charge-group...
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2011-01-30
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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2010-09-01
Mark Abraham
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-09-01
hess
cleaner implementation of close_nblist with comments...
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2010-08-31
Berk Hess
avoided creation of neighborlists without j-particles
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2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
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2010-08-17
Michael Shirts
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2010-08-10
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-09
Berk
added exclusion check for cg-cg innerloops
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2010-08-08
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-06
Roland Schulz
Merge branch 'release-4-5-patches' of ssh://git.gromacs...
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2010-08-06
Roland Schulz
cleanup: GMX_CG_INNERLOOP isn't used anymore
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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
added charge group size check to grompp
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2010-01-26
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-01-26
Berk Hess
added missing nblist initializations
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2010-01-05
Roland Schulz
Undo Michael's accidental commits with:
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2010-01-04
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-01
Michael Shirts
Fix for nonbondeds.
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2010-01-01
Michael Shirts
More fixes for the multicomponent lambda.
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2009-12-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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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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2009-12-20
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-19
Michael Shirts
Committing to merge
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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
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-19
Berk Hess
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-18
Berk
fixed charge group size check in ns.c
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2009-11-15
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-11
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-11
Berk Hess
added exclusion support for cg-cg loops
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2009-11-11
Berk
made CG neighbor lists switchable with an env.var.
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2009-10-16
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-09-30
Berk Hess
moved the initialization of the grid ns lists
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2009-09-30
Berk Hess
fixed bug with twin-range ns when not starting a simula...
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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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2009-09-09
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
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2009-09-09
Sander Pronk
Made former atoi (atoi is not thread-safe) strtols...
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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
Initial all-vs-all kernels. Single precision SSE working.
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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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2009-08-04
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-08-03
Berk Hess
changed the twin-range integrator to a symplectic Trott...
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2009-07-14
Berk Hess
added mdp parameters nstcalcenergy and rlistlong and...
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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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2009-06-11
Berk Hess
removed superfluous memory allocation, helps a lot...
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2009-06-11
Berk Hess
removed superfluous memory allocation, helps a lot...
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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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2009-05-26
hess
made simuations without cut-off work 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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2009-04-29
hess
fixed bug with DD introduced in previous commit
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2009-04-28
hess
implemented grid neighbor searching without pbc, does...
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2009-04-21
lindahl
Parallel domain decomposition support for Generalized...
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2009-04-08
hess
replaced the word zone by cell for domain decomposition...
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2009-04-02
kasson
PK committing patches from Per Larsson for nb kernels.
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2009-03-27
hess
implemented foreign lambda free energy difference code
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2009-01-30
lindahl
Initial commit of generalized born electrostatics....
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2009-01-29
hess
fixed missing tip4p-tip4p charge interactions with...
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2009-01-29
hess
fixed missing tip4p-tip4p charge interactions with...
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2008-12-03
hess
Introduced generic charge-group - charge-group inner...
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2008-08-31
hess
removed useless MAX_CG in add_j_to_nblist
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2008-08-30
spoel
Fixed a SEGV due to overflow in neighborlist during...
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2008-08-30
hess
fixed MAX_CG check for simple search
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2008-08-27
hess
QMMM fixed of Gerrit
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