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Redefine the default boolean type to gmx_bool.
[alexxy/gromacs.git]
/
src
/
gmxlib
/
mvdata.c
2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
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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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2010-03-10
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-03-10
Berk Hess
fixed segv with NH and pd
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2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
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2010-02-02
Berk Hess
fixed segv in bcast_state with etc=v-rescale and partic...
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2010-01-26
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-01-22
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-22
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-22
Michael Shirts
A variety of changes to correctly do checkpointing...
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2010-01-19
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-17
Michael Shirts
Revisions to harmonize velocity verlet with Berk's...
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2010-01-13
Carsten Kutzner
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-11
Michael Shirts
changes the nnhchains name to nhchainlength
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2010-01-07
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
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2010-01-07
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
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2010-01-07
Berk
moved cmap_grid from mtop to ffparams and idef
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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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2009-12-20
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-20
Michael Shirts
Fixed an issue with checkpointing not getting the first...
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2009-12-19
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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2009-12-19
Michael Shirts
Changing the cpt version; can't figure out how to prese...
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2009-12-19
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-17
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-06
Erik Lindahl
Merge branch 'release-4-0-patches' of git.gromacs.org...
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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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2009-11-23
Berk
removed MPI_Bcast of NULL pointers
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2009-11-23
Berk
removed MPI_Bcast of NULL pointers
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2009-11-20
Michael Shirts
Almost working now! not vv for average kinetic energy...
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2009-10-25
Michael Shirts
added changes to take alpha out of the ir->opts. now...
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2009-09-30
Michael Shirts
More bug fixed for parallel running.
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2009-09-26
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-09-26
Michael Shirts
Now we are getting energy conservation with NPT, and...
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2009-09-23
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-09-18
Michael Shirts
A number of changes to try to rationalize constraints...
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2009-09-09
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
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2009-09-07
Michael Shirts
A number of changes to gromacs_mrs. Almost working...
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2009-08-21
Sander Pronk
Merge branch 'thread_mpi'. Threads should work for...
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2009-07-10
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-07-09
Erik Lindahl
Fixed parallel bug (PD, probably not DD) where the...
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2009-06-25
Berk Hess
fixed missing communication of new reppow
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2009-06-17
Sander Pronk
Merge branch 'thread_mpi'
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2009-06-17
Sander Pronk
intial commit of thread_mpi (compiles, but does not...
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2009-06-04
Erik Lindahl
Removed Id tags from master branch since they will...
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2009-05-19
hess
fixed bug with pull groups using weights in parallel
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2009-05-19
hess
fixed bug with pull groups using weights in parallel
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2009-04-21
lindahl
Initial CMAP support commit.
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2009-04-21
lindahl
Parallel domain decomposition support for Generalized...
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2009-03-27
hess
implemented foreign lambda free energy difference code
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2009-03-21
hess
added missing snew for resinfo
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2009-03-06
hess
added t_resinfo struct to t_atoms which contains the...
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2008-09-21
hess
fixed the slight kinetic energy mismatch at continuatio...
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2008-09-21
hess
fixed the slight kinetic energy mismatch at continuatio...
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2008-09-19
hess
updated for the additional energy state entries
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2008-08-05
hess
t_topology is now partially replaced by gmx_mtop_t...
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2008-07-24
hess
implemented velocity rescaling thermostat and fixed...
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2008-06-20
hess
bcast_state now uses a loop and a switch such that...
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2008-06-18
hess
fixed binary exact checkpoint continuation with pressur...
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2008-06-11
hess
added ilist sorting to put free energy bondeds at the...
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2008-04-11
hess
implemented checkpoint files
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2008-03-19
hess
added fudgeQQ to the communication, this caused 14...
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2008-02-13
hess
implemented box shape preservation for (semi)isotropic...
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2008-02-02
hess
removed a array from t_block for cgs and mols, renamed...
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2008-01-25
hess
moved all ring communication routines to partdec.c...
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2008-01-17
hess
implemented automated DD grid and PME node selection
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2007-07-10
hess
moved debug prints from log to debug file
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2007-07-02
hess
merged the pull input into the inputrec, implemented...
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2007-01-03
hess
added flags to t_state to indicate the presence of...
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2007-01-03
hess
made the allocation of atoms sizes vectors in state...
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2006-12-14
hess
removed the multinr arrays from the ilist and block...
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2006-04-19
lindahl
fatal.h clashes with system headers on AIX. Renamed...
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2006-03-24
hess
implemented proper local topologies for domain decompos...
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2006-01-20
hess
implemented parallel replica exchange
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2005-09-24
spoel
Moved parallellization from grompp to mdrun
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2005-09-12
carsten
Carsten: added PME-PP node splitting for parallel runs
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2005-09-07
lindahl
Fixed a parallel bug where QM data was sent/received...
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2005-09-02
lindahl
Last part of the QM-MM patch.
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2005-08-04
spoel
Removed the t_parm structure and did some very minor...
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2005-05-19
hess
implemented seperate user tables for selected pairs...
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2005-04-07
hess
changed Ekin to the average of the half step Ekin's...
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2004-09-06
spoel
Replaced the fatal_error routine by a more flexible...
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2004-01-23
lindahl
Added conditional inclusion of config.h to source files.
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2003-11-17
spoel
Upped the version to 3.2.0
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2003-09-07
spoel
Fixed water bug, added infinite systems support, and...
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2003-06-12
hess
added a struct t_state which should contain all informa...
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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 wrapper
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2001-05-14
lindahl
Tagged files with gromacs 3.0 header
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2000-09-14
hess
Committed the new innerloops for Erik Lindahl
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