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Redefine the default boolean type to gmx_bool.
[alexxy/gromacs.git]
/
src
/
gmxlib
/
mshift.c
2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
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2010-07-05
Maarten Wolf
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-07-02
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-02
David van der Spoel
Made removing pbc non-static. This affects many analysi...
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2010-07-02
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-02
David van der Spoel
Fixed bug bugzilla.gromacs.org/show_bug.cgi?id=455...
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2010-07-01
Sander Pronk
More thread safety fixes in gmxlib.
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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
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-23
Berk Hess
removed statusio.h
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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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2010-06-11
Sander Pronk
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-11
Sander Pronk
Pointer arithmetic bug fix in mshift.c
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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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2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
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2010-01-19
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-14
Berk Hess
Merge branch 'release-4-0-patches' of git@git.gromacs...
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2010-01-11
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
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2010-01-08
Berk Hess
made graph.edge a single array
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2010-01-08
Berk
fixed segv in graph code for multi-body interactionswit...
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2010-01-08
Berk
fixed segv in graph code for multi-body interactions...
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2009-09-23
Michael Shirts
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@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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2009-09-12
Roland Schulz
Merge branch 'master' of git@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
Sander Pronk
Made former atoi (atoi is not thread-safe) strtols...
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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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2009-06-27
Sander Pronk
atoi/atof are not thread-safe: replaced all instances...
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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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2008-12-11
hess
finally fixed all graph problems by only adding non...
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2008-12-11
hess
finally fixed all graph problems by only adding non...
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2008-11-16
hess
fixed bug with graph printing with -debug 2
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2008-11-16
hess
fixed bug with graph printing with -debug 2
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2008-10-13
spoel
Merged in fix from stable brancvh
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2008-10-13
spoel
Removed dirty allocation as it may be incompatible...
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2008-09-19
lindahl
Implemented automatic renaming and optional appending...
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2008-09-16
hess
fixed simulation halt at start with graph fatal error...
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2008-08-05
hess
t_topology is now partially replaced by gmx_mtop_t...
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2008-03-11
hess
implemented screw pbc
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2008-03-07
hess
reorganized the pbc code, there is now an extra pbc_dx...
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2008-02-01
hess
made SHAKE within charge groups work with domain decomp...
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2007-11-27
hess
removed global variable stdlog
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2007-05-11
hess
fixed a bug introduced two revisions ago
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2007-04-16
hess
removed unused graph space introduced in the previous...
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2007-04-14
spoel
Fixed bugzilla 66
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2007-02-13
hess
added pbc=xy and walls, added a separate mdp option...
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2006-12-05
hess
implemented two debug levels
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2006-08-30
spoel
Fixed compilation warnings and errors.
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2006-08-29
spoel
Added debug statement
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2006-04-19
lindahl
fatal.h clashes with system headers on AIX. Renamed...
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2006-04-06
spoel
Merged in changes from 3.3
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2006-04-05
hess
implemented parallel LINCS
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2005-08-31
hess
fixed (unimportant) nbond count for settle
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2005-08-31
hess
The last fixes for graphs not fully connected by normal...
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2005-08-30
hess
fixed an ancient bug in the graph code that caused...
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2005-04-13
hess
limited the number of nconsistent shifts warnings to 100
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2004-12-14
hess
renamed all dummy/dummies to vsite/vsites in all filena...
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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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2003-02-12
spoel
Lots of small changes to analysis tools mainly
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2002-12-04
spoel
Made use of graph optional (with epbcXYZ only) and...
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2002-11-06
lindahl
Partial commit of the project to remove all static...
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2002-04-04
hess
changed all 'bond' stuff in the graph to 'edge'
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2002-03-28
hess
replaced IF_CONNECT by IF_GRAPH and IF_CHEMBOND
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2002-02-28
spoel
Updated copyrgt wrapper
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2002-02-22
hess
made settles connect and made the code in mshift.c...
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2001-05-14
lindahl
Tagged files with gromacs 3.0 header
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2001-03-29
hess
added 3 new bond types and F_EQM
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2001-03-28
hess
added bondtype 5 which has no potential
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2001-03-11
lindahl
Fixed dummies to work in parallel, even when the dummy...
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2000-05-15
anton
removed unused vars
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2000-04-19
lindahl
Changed the shift code to use list of ivec with separat...
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2000-04-19
hess
put cubic bond stuff between ifdef USE_CUBICBONDS
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2000-04-06
spoel
Added a new bond stretching potential. Too bad one...
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2000-01-26
spoel
Fix for the splitter problem. Tested with d.micel and...
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1999-11-29
hess
added support for triclinic boxes
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1999-11-03
hess
copyrgted
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1999-08-25
hess
added a check for the tpx/trx incompatibility problem
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1999-07-29
hess
changed IF_SHAKE to IF_CONSTRAINT
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1999-07-20
hess
removed 5 unused vars in all bondfree function calls
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1999-07-07
hess
fixed some potential trouble with calls with different...
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1999-05-25
spoel
Changed many files to be able to use the new inner...
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1999-03-17
spoel
Patched files for G96
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1999-03-16
hess
bonded dummy to first constructing atom fot the graph
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1999-01-26
anton
removed unused vars and bad formats
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1998-11-11
spoel
Made everything compilable again...
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1998-09-10
hess
can now shift with natoms smaller than the number of...
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1998-09-10
spoel
Synchronizing my repository with the real one. Should...
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1998-03-11
spoel
Added a number of small things (input processing),
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1998-03-04
anton
removed unused vars, implicit type conversions and...
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1998-01-10
spoel
Fixed a bug in mkmshift that affected only pure water...
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