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added Verlet scheme and NxN non-bonded functionality
[alexxy/gromacs.git]
/
include
/
main.h
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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2012-05-29
Christoph Junghans
Merge "Revised g_tune_pme" into release-4-6
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2012-05-27
David van der Spoel
Merge "added explicit sqrtf to the float version of...
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2012-05-25
David van der Spoel
Merge "grompp now retains the order of bonds converted...
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2012-05-25
Christoph Junghans
Merge "Fix that sigaction mask wasn't zeroed" into...
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2012-05-24
Berk Hess
now mdrun always initializes MPI
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2011-05-05
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2011-04-04
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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2011-03-16
Sander Pronk
mdrun -multi, multidir and replica exchange now exchang...
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2011-03-10
Sander Pronk
Added more support for multidir.
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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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2010-08-23
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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2010-06-18
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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2010-06-11
Sander Pronk
Fixed an allocation error during thread spawns.
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2010-06-11
Sander Pronk
Merge branch 'threadspawn'
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2010-06-11
Sander Pronk
Number of threads is now also determined by system...
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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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2010-04-04
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-03-21
Sander Pronk
Auto-cancels threads for non-parallel integrators.
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2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
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2009-12-20
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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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
Roland Schulz
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-27
Roland Schulz
C++ fixes part2; extern C fixes in header files a*...
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2009-11-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-10-25
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-10-21
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2009-10-20
Roland Schulz
md5sum and locking for appending of files
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2009-10-16
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-10-12
Sander Pronk
Cleaned up parallel detection in pme & other places.
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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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2009-08-19
Sander Pronk
now starts threads at mdrunner; should still fix multisim.
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2009-07-07
Sander Pronk
MPI send/recv more forgiving of NULL ptrs, misc. thread...
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2009-07-04
Sander Pronk
file names now const correct; builds in C++
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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
teemu
Improved compilation (no errors, less warnings) of...
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2008-09-19
lindahl
Implemented automatic renaming and optional appending...
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2008-01-28
hess
added init_cr_nopar
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2007-11-27
hess
removed global variable stdlog
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2007-07-10
hess
made log file printing on non-master nodes optional...
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2006-01-20
hess
implemented parallel replica exchange
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2005-06-01
hess
with -multi now only the output files and the tpx are...
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2004-08-18
hess
made all read-only pointers in bonded force function...
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2003-11-17
spoel
Upped the version to 3.2.0
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2003-10-24
hess
changed gmx_parallel to gmx_parallel_env to make its...
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2002-11-08
spoel
Fixed a lot of compilation errors.
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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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2002-02-18
hess
added a fit group for orientation restraining to fix...
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2002-02-01
hess
Changed the term violation for orientation restraints...
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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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1999-11-03
hess
copyrgted
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1999-06-08
spoel
Added global variable gmx_parallel which is 0 for seque...
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1999-01-06
spoel
Fixed a number of parallel problems. Tested with xmdrun...
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1998-11-09
spoel
Chnged prototype for init_par
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1998-01-20
hess
Merged the patches of the 1.6 release branch into 2.0
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1997-12-23
anton
Edited by Copyright -> 2.0
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1997-11-27
anton
Edited by copyrgt -> v1.6; fixed loads of inconsistent...
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1997-11-03
spoel
Initial revision
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