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Redefine the default boolean type to gmx_bool.
[alexxy/gromacs.git]
/
src
/
mdlib
/
tables.c
2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
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2010-08-17
Michael Shirts
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2010-08-10
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-09
Teemu Murtola
More PME-User-Switch fixes.
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2010-08-09
Teemu Murtola
Fixes for PME-User-Switch.
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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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2010-06-24
Mark Abraham
Added snew_aligned and sfree_aligned for managing n...
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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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2010-02-01
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-01-28
Berk Hess
renamed libfn function to gmxlibfn
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2009-12-05
Michael Shirts
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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2009-10-16
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-10-02
Berk Hess
added check for user table spacing
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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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2009-07-06
Sander Pronk
more const-correctness fixes
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2009-07-02
Sander Pronk
fixed allocation issue in libfn (futil.c).
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2009-06-30
Sander Pronk
added output_env_t type for querying time scales, and...
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2009-06-25
Sander Pronk
Merge branch 'thread_mpi' of git@git.gromacs.org:gromac...
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2009-06-25
Sander Pronk
Fixed many thread-unsafe bits of code; only gmx_wallcyc...
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2009-06-22
Berk Hess
added the repulsion power to the tpr file and added...
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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
hess
updated for C++ compilation
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2009-04-21
lindahl
Initial CMAP support commit.
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2009-03-07
lindahl
Fixed windows portability issues, and renamed some...
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2009-02-16
hess
fixed incorrect repulsion for LJ14 with Buckingham...
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2009-02-16
hess
fixed incorrect repulsion for LJ14 with Buckingham...
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2009-01-30
lindahl
Initial commit of generalized born electrostatics....
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2009-01-20
hess
fixed reading beyond array bound for hidden user table...
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2009-01-20
hess
fixed reading beyond array bound for hidden user table...
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2008-09-19
lindahl
Implemented automatic renaming and optional appending...
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2008-08-27
hess
added a check for user tables entries close to GMX_MAX_...
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2008-08-01
hess
made a debug print more meaningful
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2008-03-11
hess
changed the pair table length from tabext to rcut+tabex...
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2008-01-18
hess
implemented spline force generation for user tables...
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2007-09-11
hess
replaced warning about zero table by note
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2007-08-29
hess
fixed a bug introduced in the previous commit that...
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2007-07-13
hess
added a check that the force in the user tables matches...
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2007-06-04
hess
fixed a bug which with wall tables
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2007-05-08
hess
added coulombtype Reaction-Field-zero
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2007-04-12
spoel
Fixed bug in internal data structures
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2007-04-12
spoel
Added missing string in table names
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2007-03-30
hess
fixed a harmless rounding problem introduced in the...
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2007-02-13
hess
added pbc=xy and walls, added a separate mdp option...
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2006-12-08
hess
implemented tabulated bonded potentials
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2006-10-05
hess
changed the splines to V and f matching
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2006-07-20
hess
implemented PME-Switch electrostatics
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2006-04-19
lindahl
fatal.h clashes with system headers on AIX. Renamed...
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2005-09-01
lindahl
Made table data aligned to 16-byte boundaries for altivec.
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2005-08-30
lindahl
Fixed a table bug - the array bCoulomb[] was incorrectl...
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2005-08-29
lindahl
Fixed compiler warnings.
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2005-06-17
hess
The pair interactions now always use plain cut-off...
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2005-03-01
hess
implemented test particle insertion, activated the...
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2005-02-22
hess
read_xvg now returns double precision data and modified...
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2005-02-08
spoel
Added support for a combination of PME and User determi...
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2004-12-26
lindahl
Made Gromacs defines more systematic by adding the...
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2004-09-06
spoel
Replaced the fatal_error routine by a more flexible...
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2004-08-28
lindahl
Added Encad shift functions to the table code.
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2004-08-10
hess
added reaction-field correction for excluded atom pairs...
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2004-01-25
lindahl
Fixed possible division by zero when debugging Buckingh...
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2004-01-23
lindahl
Added conditional inclusion of config.h to source files.
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2004-01-22
hess
fixed filling of buckingham tables, broke since at...
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2004-01-21
hess
added check for the first user table element being...
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2003-11-27
lindahl
Fixed warnings about const char
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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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2002-09-20
lindahl
Removed unused optimizations in mkinl.
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2002-08-01
lindahl
Improved the performance on Powerpc by tweaking the...
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2002-06-25
lindahl
Increased extra table distance from 0.6 to 1.0.
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2002-02-28
spoel
Renamed pull-internal.h to pull_internal.h
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2001-08-30
spoel
Use more correct boundaries to prevent SEGVs
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2001-07-10
lindahl
Added parantheses to avoid possible compiler errors...
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2001-07-09
lindahl
More compiler warning and uncommon error messages fixes
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2001-05-14
lindahl
Tagged files with gromacs 3.0 header
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2001-04-26
hess
serious memory problem
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2001-04-23
spoel
Fixed bug for PME tables, and made the input file a...
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2001-04-23
spoel
Fixed SEGV.
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2001-04-22
spoel
Added option -table to mdrun for use with table functions.
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2001-04-21
spoel
Working version that can read tables and combine these...
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2001-04-20
spoel
Fixed bugs in reading user tables. It seems to work...
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2000-11-09
hess
added the constant c_rf to the reaction-field potential
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2000-09-14
hess
Committed the new innerloops for Erik Lindahl
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2000-03-13
spoel
Two changes:
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2000-02-10
hess
added softcore option in inputrec, removed deltagrid...
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2000-01-12
hess
removed an illegal callto gmx_cpu_id
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1999-11-22
hess
added a space in an fprintf
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1999-11-03
hess
copyrgted
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1999-11-03
spoel
Fixed horrible bugs in bham-table innerloop
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1999-10-29
hess
fixed the fep table length
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1999-09-03
lindahl
Changed the use of tabulated interactions. When tabulated
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1999-08-17
spoel
Prints three different table files when in debug mode...
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1999-07-26
lindahl
New tables for Ewald SR electrostatics
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1999-05-28
hess
fixed the table log fprintf
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