added Verlet scheme and NxN non-bonded functionality
[alexxy/gromacs.git] / include / pme.h
2012-10-02 Szilard Palladded Verlet scheme and NxN non-bonded functionality
2012-10-01 Roland SchulzMerge release-4-5-patches into release-4-6
2012-09-03 Szilard PallMerge branch 'release-4-5-patches' into release-4-6
2012-07-13 Roland SchulzMerge release-4.5-patches into HEAD
2012-06-01 Roland SchulzMerge release-4-5-patches into release-4-6
2012-05-07 Teemu MurtolaMerge branch 'gerrit/release-4-5-patches' into release-4-6
2012-04-29 Roland SchulzMerge release-4-5-patches into release-4-6
2012-04-29 Roland SchulzMerge release-4-5-patches into release-4-6
2012-04-26 Berk HessMerge release-4-5-patches into release-4-6
2012-04-03 Roland SchulzMerge remote-tracking branch 'gerrit/release-4-5-patche...
2012-03-28 Szilard PallMerge branch 'release-4-5-patches' into release-4-6
2012-03-16 Roland SchulzMerge release-4-5-patches into release-4-6
2012-02-29 Szilard PallMerge branch 'release-4-5-patches' into release-4-6
2012-02-23 Roland SchulzMerge remote-tracking branch 'gerrit/release-4-5-patche...
2012-02-08 Roland SchulzMerge remote-tracking branch 'gerrit/release-4-5-patche...
2012-02-08 Christoph JunghansMerge "fixed confusing nonbonded kernel pointer initial...
2012-02-03 Roland SchulzMerge remote-tracking branch 'gerrit/release-4-5-patche...
2012-02-03 David van der SpoelMerge "Improved the accuracy of the sd1 integrator...
2012-02-02 Szilárd PállMerge "Merges in threading branch as one squashed commi...
2012-02-02 Roland SchulzMerges in threading branch as one squashed commit
2011-01-30 David van der SpoelMerge branch 'release-4-5-patches' into orderparm
2010-10-28 David van der SpoelMerge branch 'release-4-5-patches' of git.gromacs.org...
2010-10-09 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org...
2010-10-08 Berk Hessfixed combination of tpic with pme, pme mesh energy...
2010-08-25 Rossen ApostolovRedefine the default boolean type to gmx_bool.
2010-08-23 Rossen ApostolovMerge branch 'release-4-5-patches' of git.gromacs.org...
2010-08-22 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org...
2010-08-22 Erik LindahlCleaned up all installed headers to remove strict depen...
2010-07-28 Christoph JunghansMerge branch 'master' of git://git.gromacs.org/gromacs
2010-07-28 Berk Hessrenamed pme_maxshift0/1 to pme_maxshift_x/y
2010-06-27 Michael ShirtsMerge branch 'master' of git@git.gromacs.org:gromacs
2010-06-24 Szilard PallMerge branch 'master' of git@git.gromacs.org:gromacs
2010-06-24 Berk Hessremoved obsolete fftgrid code and disabled PPPM with...
2010-06-09 Gerrit GroenhofMerge branch 'master' into qmmm
2010-05-16 David van der SpoelMerge branch 'master' of git.gromacs.org:gromacs
2010-05-16 David van der SpoelMerge branch 'master' of git@git.gromacs.org:gromacs
2010-05-10 Sander PronkRestored proper signal handling when PME nodes are...
2010-05-07 Szilard PallMerge branch 'master' of git@git.gromacs.org:gromacs
2010-05-07 Berk Hessmade PME energy and virial calculation optional
2010-05-07 Berk HessMerge commit 'origin/2dpme'
2010-04-30 Berk HessMerge commit 'origin/master' into 2dpme
2010-04-29 Berk HessMerge commit 'origin/master' into 2dpme
2010-04-27 Berk Hessresolved merge conflicts
2010-03-12 David van der SpoelMerge branch 'master' of git.gromacs.org:gromacs
2010-03-02 Roland SchulzMerge branch 'release-4-0-patches'
2010-02-24 Sander PronkSignal handler now listens to SIGINT (ctrl-c).
2010-01-14 Roland SchulzMerge branch '2dpme' of git@git.gromacs.org:gromacs...
2010-01-14 Berk Hessupdated the PME load estimates for 2D PME
2010-01-05 Roland SchulzUndo Michael's accidental commits with:
2010-01-04 Michael ShirtsMerge branch 'master' of git@git.gromacs.org:gromacs
2009-12-27 Michael ShirtsMerge branch 'master' of git@git.gromacs.org:gromacs
2009-12-27 Michael ShirtsMerge branch 'master' of git@git.gromacs.org:gromacs
2009-12-23 Michael ShirtsMerge branch 'master' of git@git.gromacs.org:gromacs
2009-12-21 David van der SpoelMerge branch 'master' of git@git.gromacs.org:gromacs
2009-12-20 Michael ShirtsMerge branch 'master' of git@git.gromacs.org:gromacs
2009-12-19 Michael ShirtsCommitting to merge
2009-12-17 Michael ShirtsMerge branch 'master' of git@git.gromacs.org:gromacs
2009-12-17 Peter KassonMerge branch 'master' of git@git.gromacs.org:gromacs
2009-12-16 Roland SchulzMerge commit 'origin/master' into 2dpme
2009-12-15 Roland SchulzMerge branch '2dpme' of git@git.gromacs.org:gromacs...
2009-12-15 Berk HessMerge commit 'origin/master' into 2dpme
2009-12-15 Berk HessMerge commit 'origin/master' into 2dpme
2009-12-15 Berk Hessmerge with master
2009-12-15 Berk Hessadded PME subdivision to cycle counters
2009-12-09 Berk HessMerge commit 'origin/master' into 2dpme
2009-12-05 Michael ShirtsMerge branch 'master' of git@git.gromacs.org:gromacs
2009-12-02 Berk HessMerge commit 'origin/master' into 2dpme
2009-11-30 David van der SpoelMerge branch 'master' of git@git.gromacs.org:gromacs
2009-11-30 Erik LindahlInital 2D PME decomposition changes
2009-11-27 Roland SchulzMerge branch 'master' of git@git.gromacs.org:gromacs
2009-11-27 Sander PronkC++ fixes: fixed 'extern "C"' in header files m-z.
2009-09-14 David van der SpoelMerge branch 'master' of git@git.gromacs.org:gromacs
2009-09-14 David van der SpoelMerge branch 'master' of git.gromacs.org:gromacs
2009-09-09 Michael ShirtsMerge branch 'master' of git://git.gromacs.org/gromacs
2009-09-09 Erik LindahlMerge branch 'master' of git.gromacs.org:gromacs
2009-09-07 Roland Schulzrenamed gmx_step_t to gmx_large_int_t. gmx_large_int_t...
2009-08-21 Sander PronkMerge branch 'thread_mpi'. Threads should work for...
2009-07-30 Carsten KutznerMerge branch 'master' of git@git.gromacs.org:gromacs
2009-07-29 Carsten KutznerMerge branch 'master' of git@git.gromacs.org:gromacs
2009-07-28 Carsten Kutznerset init_step on pme only nodes when counter resetting...
2009-07-27 Carsten KutznerCounter resetting also on the PME only nodes
2009-06-04 Erik LindahlRemoved Id tags from master branch since they will...
2009-06-01 hessimplemented the PP PME communication for 2D PME
2008-12-16 hessimplemented PME with TPI
2008-03-27 hessimproved the PME nnodes compatibility checking
2008-03-26 hessremoved the requirement for 3Dfft that nkx should be...
2007-11-18 hessmoved all the PME-PP communication to pme_pp.c
2007-11-16 hessadded a separate function to make the PME-only nodes...
2007-11-15 lindahlUpdated header files for binary reproducibility options.
2007-10-29 hessimplemented correct determination of the PME coordinate...
2007-07-13 hessmdrun now only writes a log file on the master node...
2007-06-13 lindahlReverted out the multilambda supported committed yesterday.
2007-06-12 lindahlInitial multilambda support added, i.e. we can now...
2006-11-10 hessbVerbose is now also set on non-master nodes and remove...
2006-11-09 hessimplemented full dynamic load balancing
2006-11-01 hessimplemented cycle counting for the main parts of mdrun
2006-10-20 hessimplemented separate q and x sending to the PME only...
2006-05-04 hessremoved support for pme node splitting with particle...
2006-04-25 hessMade the pme node splitting work with domain decomposit...
2006-01-03 spoelFixed compilation.
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