biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ history
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅ next
added Verlet scheme and NxN non-bonded functionality
[alexxy/gromacs.git]
/
include
/
network.h
2012-10-02
Szilard Pall
added Verlet scheme and NxN non-bonded functionality
blob
|
commitdiff
|
raw
2012-10-01
Roland Schulz
Merge release-4-5-patches into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-09-03
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-07-13
Roland Schulz
Merge release-4.5-patches into HEAD
blob
|
commitdiff
|
raw
|
diff to current
2012-06-01
Roland Schulz
Merge release-4-5-patches into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-06-01
Christoph Junghans
Merge "Use External BLAS/LAPACK by default" into releas...
blob
|
commitdiff
|
raw
|
diff to current
2012-05-29
Christoph Junghans
Merge "Revised g_tune_pme" into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-05-27
David van der Spoel
Merge "added explicit sqrtf to the float version of...
blob
|
commitdiff
|
raw
|
diff to current
2012-05-25
David van der Spoel
Merge "grompp now retains the order of bonds converted...
blob
|
commitdiff
|
raw
|
diff to current
2012-05-25
Christoph Junghans
Merge "Fix that sigaction mask wasn't zeroed" into...
blob
|
commitdiff
|
raw
|
diff to current
2012-05-24
Berk Hess
now mdrun always initializes MPI
blob
|
commitdiff
|
raw
|
diff to current
2012-05-07
Teemu Murtola
Merge branch 'gerrit/release-4-5-patches' into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-04-26
Berk Hess
Merge release-4-5-patches into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-04-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
blob
|
commitdiff
|
raw
|
diff to current
2012-03-28
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-03-16
Roland Schulz
Merge release-4-5-patches into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-02-29
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-02-23
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
blob
|
commitdiff
|
raw
|
diff to current
2012-02-08
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
blob
|
commitdiff
|
raw
|
diff to current
2012-02-08
Christoph Junghans
Merge "fixed confusing nonbonded kernel pointer initial...
blob
|
commitdiff
|
raw
|
diff to current
2012-02-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
blob
|
commitdiff
|
raw
|
diff to current
2012-02-03
David van der Spoel
Merge "Improved the accuracy of the sd1 integrator...
blob
|
commitdiff
|
raw
|
diff to current
2012-02-02
Szilárd Páll
Merge "Merges in threading branch as one squashed commi...
blob
|
commitdiff
|
raw
|
diff to current
2012-02-02
Roland Schulz
Merges in threading branch as one squashed commit
blob
|
commitdiff
|
raw
|
diff to current
2011-05-05
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
blob
|
commitdiff
|
raw
|
diff to current
2011-04-04
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
blob
|
commitdiff
|
raw
|
diff to current
2011-03-16
Sander Pronk
mdrun -multi, multidir and replica exchange now exchang...
blob
|
commitdiff
|
raw
|
diff to current
2011-01-30
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
blob
|
commitdiff
|
raw
|
diff to current
2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
blob
|
commitdiff
|
raw
|
diff to current
2010-08-23
Rossen Apostolov
Merge branch 'release-4-5-patches' of git.gromacs.org...
blob
|
commitdiff
|
raw
|
diff to current
2010-08-22
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
blob
|
commitdiff
|
raw
|
diff to current
2010-08-22
Erik Lindahl
Cleaned up all installed headers to remove strict depen...
blob
|
commitdiff
|
raw
|
diff to current
2010-07-10
Michael Shirts
Fixed minor formatting conflict.
blob
|
commitdiff
|
raw
|
diff to current
2010-07-05
Maarten Wolf
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-07-05
Sander Pronk
Fixed header files to be able to link 3d party code...
blob
|
commitdiff
|
raw
|
diff to current
2010-06-09
Gerrit Groenhof
Merge branch 'master' into qmmm
blob
|
commitdiff
|
raw
|
diff to current
2010-05-16
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-05-16
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-05-10
Roland Schulz
always define MPI_Comm, MPI_Request, MPI_Group to avoid...
blob
|
commitdiff
|
raw
|
diff to current
2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
blob
|
commitdiff
|
raw
|
diff to current
2009-12-20
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-12-05
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-11-30
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-11-27
Roland Schulz
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-11-27
Sander Pronk
C++ fixes: fixed 'extern "C"' in header files m-z.
blob
|
commitdiff
|
raw
|
diff to current
2009-09-09
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-08-30
kasson
Tool merge
blob
|
commitdiff
|
raw
|
diff to current
2009-08-27
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-08-21
Sander Pronk
Merge branch 'thread_mpi'. Threads should work for...
blob
|
commitdiff
|
raw
|
diff to current
2009-08-19
Sander Pronk
removed *s files, improved cmake/configure thread detection
blob
|
commitdiff
|
raw
|
diff to current
2009-08-19
Sander Pronk
Added full thread_mpi library, it may even compile...
blob
|
commitdiff
|
raw
|
diff to current
2009-06-17
Sander Pronk
Merge branch 'thread_mpi'
blob
|
commitdiff
|
raw
|
diff to current
2009-06-17
Sander Pronk
intial commit of thread_mpi (compiles, but does not...
blob
|
commitdiff
|
raw
|
diff to current
2009-06-04
Erik Lindahl
Removed Id tags from master branch since they will...
blob
|
commitdiff
|
raw
|
diff to current
2008-12-10
hess
added gmx_sum versions with the mpi communicator as...
blob
|
commitdiff
|
raw
|
diff to current
2008-09-13
rschulz
prevent crash when stdlog NULL
blob
|
commitdiff
|
raw
|
diff to current
2008-01-28
hess
moved sim_nodeid from gmx_domdec_t to commrec_t and...
blob
|
commitdiff
|
raw
|
diff to current
2008-01-25
hess
moved all ring communication routines to partdec.c...
blob
|
commitdiff
|
raw
|
diff to current
2008-01-17
hess
implemented automated DD grid and PME node selection
blob
|
commitdiff
|
raw
|
diff to current
2007-11-09
hess
Improved the performance of the gmx_sum routines on...
blob
|
commitdiff
|
raw
|
diff to current
2006-04-19
lindahl
fatal.h clashes with system headers on AIX. Renamed...
blob
|
commitdiff
|
raw
|
diff to current
2006-01-20
hess
implemented parallel replica exchange
blob
|
commitdiff
|
raw
|
diff to current
2005-09-03
spoel
Updated typo
blob
|
commitdiff
|
raw
|
diff to current
2005-08-31
lindahl
Added relative precision checking routine, and defines...
blob
|
commitdiff
|
raw
|
diff to current
2005-03-22
spoel
Added function gmx_mpi_initialized and used it to allow...
blob
|
commitdiff
|
raw
|
diff to current
2004-12-26
lindahl
Changed Gromacs #defines to use a common GMX_ prefix.
blob
|
commitdiff
|
raw
|
diff to current
2004-09-06
spoel
This is a patch that make parallel runs under MPI termi...
blob
|
commitdiff
|
raw
|
diff to current
2004-08-18
hess
made all read-only pointers in bonded force function...
blob
|
commitdiff
|
raw
|
diff to current
2003-11-17
spoel
Upped the version to 3.2.0
blob
|
commitdiff
|
raw
|
diff to current
2002-11-06
lindahl
Partial commit of the project to remove all static...
blob
|
commitdiff
|
raw
|
diff to current
2002-02-28
spoel
Updated copyrgt
blob
|
commitdiff
|
raw
|
diff to current
2002-02-01
hess
Changed the term violation for orientation restraints...
blob
|
commitdiff
|
raw
|
diff to current
2001-09-11
spoel
Moved relevant functionality to network.h
blob
|
commitdiff
|
raw
|
diff to current
2001-07-13
spoel
Restore previous version
blob
|
commitdiff
|
raw
|
diff to current
2001-07-10
lindahl
Fixed more compile-time warnings, and changed the exten...
blob
|
commitdiff
|
raw
|
diff to current
2001-07-10
lindahl
Added parantheses to avoid possible compiler errors...
blob
|
commitdiff
|
raw
|
diff to current
2001-05-14
lindahl
Tagged files with gromacs 3.0 header and added some...
blob
|
commitdiff
|
raw
|
diff to current
2001-04-24
spoel
Updated
blob
|
commitdiff
|
raw
|
diff to current
2001-03-02
lindahl
Transfer of the entire build system to autoconf/automake.
blob
|
commitdiff
|
raw
|
diff to current
2000-09-14
hess
Committed the new innerloops for Erik Lindahl
blob
|
commitdiff
|
raw
|
diff to current
1999-11-03
hess
copyrgted
blob
|
commitdiff
|
raw
|
diff to current
1999-08-24
hess
removed stuff for obsolete cpu's like amb
blob
|
commitdiff
|
raw
|
diff to current
1999-03-19
spoel
renamed debugging macro
blob
|
commitdiff
|
raw
|
diff to current
1999-03-18
spoel
Added defs for flags
blob
|
commitdiff
|
raw
|
diff to current
1999-01-06
spoel
Fixed a number of parallel problems. Tested with xmdrun...
blob
|
commitdiff
|
raw
|
diff to current
1999-01-04
spoel
*** empty log message ***
blob
|
commitdiff
|
raw
|
diff to current
1997-12-23
anton
Edited by Copyright -> 2.0
blob
|
commitdiff
|
raw
|
diff to current
1997-11-27
anton
Edited by copyrgt -> v1.6; fixed loads of inconsistent...
blob
|
commitdiff
|
raw
|
diff to current
1997-11-03
spoel
Initial revision
blob
|
commitdiff
|
raw
|
diff to current