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Redefine the default boolean type to gmx_bool.
[alexxy/gromacs.git]
/
include
/
pme.h
2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
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2010-08-23
Rossen Apostolov
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-22
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-22
Erik Lindahl
Cleaned up all installed headers to remove strict depen...
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2010-07-28
Christoph Junghans
Merge branch 'master' of git://git.gromacs.org/gromacs
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2010-07-28
Berk Hess
renamed pme_maxshift0/1 to pme_maxshift_x/y
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2010-06-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-24
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-24
Berk Hess
removed obsolete fftgrid code and disabled PPPM with...
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2010-06-09
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-05-16
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-05-16
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-10
Sander Pronk
Restored proper signal handling when PME nodes are...
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2010-05-07
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-07
Berk Hess
made PME energy and virial calculation optional
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2010-05-07
Berk Hess
Merge commit 'origin/2dpme'
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2010-04-30
Berk Hess
Merge commit 'origin/master' into 2dpme
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2010-04-29
Berk Hess
Merge commit 'origin/master' into 2dpme
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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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2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
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2010-02-24
Sander Pronk
Signal handler now listens to SIGINT (ctrl-c).
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2010-01-14
Roland Schulz
Merge branch '2dpme' of git@git.gromacs.org:gromacs...
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2010-01-14
Berk Hess
updated the PME load estimates for 2D PME
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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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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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2009-12-21
David van der Spoel
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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2009-12-17
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-17
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-16
Roland Schulz
Merge commit 'origin/master' into 2dpme
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2009-12-15
Roland Schulz
Merge branch '2dpme' of git@git.gromacs.org:gromacs...
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2009-12-15
Berk Hess
Merge commit 'origin/master' into 2dpme
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2009-12-15
Berk Hess
Merge commit 'origin/master' into 2dpme
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2009-12-15
Berk Hess
merge with master
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2009-12-15
Berk Hess
added PME subdivision to cycle counters
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2009-12-09
Berk Hess
Merge commit 'origin/master' into 2dpme
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2009-12-05
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-02
Berk Hess
Merge commit 'origin/master' into 2dpme
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2009-11-30
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-30
Erik Lindahl
Inital 2D PME decomposition changes
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2009-11-27
Roland Schulz
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-27
Sander Pronk
C++ fixes: fixed 'extern "C"' in header files m-z.
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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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2009-09-09
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
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2009-09-09
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2009-09-07
Roland Schulz
renamed gmx_step_t to gmx_large_int_t. gmx_large_int_t...
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2009-08-21
Sander Pronk
Merge branch 'thread_mpi'. Threads should work for...
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2009-07-30
Carsten Kutzner
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-07-29
Carsten Kutzner
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-07-28
Carsten Kutzner
set init_step on pme only nodes when counter resetting...
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2009-07-27
Carsten Kutzner
Counter resetting also on the PME only nodes
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2009-06-04
Erik Lindahl
Removed Id tags from master branch since they will...
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2009-06-01
hess
implemented the PP PME communication for 2D PME
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2008-12-16
hess
implemented PME with TPI
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2008-03-27
hess
improved the PME nnodes compatibility checking
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2008-03-26
hess
removed the requirement for 3Dfft that nkx should be...
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2007-11-18
hess
moved all the PME-PP communication to pme_pp.c
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2007-11-16
hess
added a separate function to make the PME-only nodes...
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2007-11-15
lindahl
Updated header files for binary reproducibility options.
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2007-10-29
hess
implemented correct determination of the PME coordinate...
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2007-07-13
hess
mdrun now only writes a log file on the master node...
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2007-06-13
lindahl
Reverted out the multilambda supported committed yesterday.
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2007-06-12
lindahl
Initial multilambda support added, i.e. we can now...
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2006-11-10
hess
bVerbose is now also set on non-master nodes and remove...
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2006-11-09
hess
implemented full dynamic load balancing
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2006-11-01
hess
implemented cycle counting for the main parts of mdrun
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2006-10-20
hess
implemented separate q and x sending to the PME only...
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2006-05-04
hess
removed support for pme node splitting with particle...
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2006-04-25
hess
Made the pme node splitting work with domain decomposit...
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2006-01-03
spoel
Fixed compilation.
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2006-01-03
spoel
Update
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2006-01-03
spoel
Did a large clean up of unused functions etc.
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2005-09-12
carsten
Carsten: added PME-PP node splitting for parallel runs
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2005-04-19
hess
cleaned up some timing and debug stuff
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2005-04-19
spoel
Added Jakob Pichlmeier's parallel PME optimizations
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2005-02-09
hess
Free-energy calculations for PME and the dipole are...
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2004-11-01
hess
implemented free-energy for Ewald and PME
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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
Updated copyrgt
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2002-02-27
hess
removed my incorrect pme/ewald fe implementation
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2002-02-27
hess
PME now calculates the free energy contribution
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2002-02-26
lindahl
Fixed minor bugs in PPC G3 detection.
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2001-07-09
lindahl
Fixed compile-time warnings and errors on some platform...
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2001-05-14
lindahl
Tagged files with gromacs 3.0 header and added some...
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2001-03-02
lindahl
Transfer of the entire build system to autoconf/automake.
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2000-11-19
spoel
Added function prototype
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2000-06-08
lindahl
Changed the calling of do_pme to use a full box matrix...
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1999-11-03
hess
copyrgted
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1999-08-24
lindahl
Modified pme to get rid of unused parameters in calls
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1999-07-26
lindahl
PME electrostatics for single node and parallel
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