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fixed confusing nonbonded kernel pointer initialization
[alexxy/gromacs.git]
/
src
/
gmxlib
/
nonbonded
/
nonbonded.c
2012-02-02
Szilard Pall
fixed confusing nonbonded kernel pointer initialization
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2012-01-19
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-01-13
Roland Schulz
Merge "Fixed MSVC compiling with plug-in support" into...
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2012-01-10
Christoph Junghans
Adds AdResS feature to gromacs
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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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2010-08-24
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-24
Erik Lindahl
Updated intel syntax x86-64 asm files to also support...
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2010-08-23
Rossen Apostolov
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-21
Erik Lindahl
Added F77 kernel setup headers
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2010-08-21
Erik Lindahl
Fixed so Fortran kernels work again
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2010-08-17
Michael Shirts
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2010-08-12
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-12
Erik Lindahl
Added double precision SSE2 generalized born kernels...
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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
Berk
env.var. GMX_NB_GENERIC no turns off solvent optimizati...
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2010-08-06
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-06
Erik Lindahl
Fixed incorrect #endif -> #else that caused the C all...
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2010-08-05
Berk Hess
sc_sigma now also sets the minimum value for the soft...
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2010-07-29
Erik Lindahl
Commented out calls to double prec. SSE2 all-vs-all...
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2010-07-26
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-26
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-26
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-26
Erik Lindahl
Added files in preparation of double-precision AllvsAll...
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2010-07-25
Erik Lindahl
Resolved merge conflict
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2010-07-25
Erik Lindahl
Fixed bug for small systems in all-vs-all kernels,...
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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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2010-03-15
kasson
Changed Generalized Born scaling to use epsilon_r for...
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2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
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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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2010-01-03
Michael Shirts
Fixed the issues with the restraint calculations.
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2010-01-02
Michael Shirts
Revision of handling of foreign lambda bonds.
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2010-01-01
Michael Shirts
Latest revision of free energy changes.
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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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2009-12-20
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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2009-12-05
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
Sander Pronk
Non-bonded kernel source files now conditionally includ...
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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
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2009-09-09
Erik Lindahl
New all-vs-all loops and working SSE gb kernels+radii...
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2009-09-07
Roland Schulz
bluegene/power6 was in wrong order
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2009-09-02
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-08-31
Erik Lindahl
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-08-31
Erik Lindahl
Changes to have GB detect 1-2,1-3,1-4 params from exclu...
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2009-08-31
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-08-30
kasson
Tool merge
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2009-08-30
Erik Lindahl
Initial all-vs-all kernels. Single precision SSE working.
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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
Added full thread_mpi library, it may even compile...
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2009-08-04
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-08-03
Berk Hess
changed the twin-range integrator to a symplectic Trott...
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2009-07-10
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-07-05
Erik Lindahl
Added separate gb_epsilon to nonbonded kernels
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2009-07-01
Sander Pronk
changed cmake/configure GMX_THREADS/GMX_THREAD_SHM_FDEC...
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2009-06-04
Erik Lindahl
Removed Id tags from master branch since they will...
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2009-04-21
lindahl
Parallel domain decomposition support for Generalized...
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2009-04-20
lindahl
Moved single precision sse intrinsics kernels to requir...
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2009-04-20
lindahl
First version of new SSE intrinsics kernels, works...
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2009-04-02
kasson
PK committing patches from Per Larsson for nb kernels.
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2009-03-27
hess
implemented foreign lambda free energy difference code
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2009-02-06
lindahl
Fixed typo in ifdef that disabled x86_64 SSE for the...
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2009-02-06
lindahl
Cleaned up includes for nonbonded.c due to new anization
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2009-02-06
lindahl
Moved previously generated nonbonded kernels to three...
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2009-01-30
lindahl
Initial commit of generalized born electrostatics....
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2009-01-26
hess
removed call for normal innerloops when generic loops...
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2008-12-18
hess
fixed atom number prints for 1-4 out of range being...
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2008-12-18
hess
fixed atom number prints for 1-4 out of range being...
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2008-12-03
hess
Introduced generic charge-group - charge-group inner...
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2008-09-01
lindahl
Add offset of 1 to get user-friendly atom indices when...
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2008-08-11
hess
split the t_group struct into a gmx_ekindata_t struct...
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2008-06-12
hess
changed atom number prints in bonded interactions to...
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2008-03-17
hess
implemented free-energy coupling options in grompp...
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2008-03-12
lindahl
Added generic nonbonded interaction routine.
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2008-03-11
hess
changed the pair table length from tabext to rcut+tabex...
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2008-03-07
hess
reorganized the pbc code, there is now an extra pbc_dx...
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2007-12-19
lindahl
Added BlueGene assembly kernels.
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2007-09-26
hess
fixed bug in outerloop nrnb counting
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2007-07-13
hess
fixed a bug of the previous commit
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2007-07-13
hess
mdrun now only writes a log file on the master node...
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2007-06-13
lindahl
Reverted out the multilambda supported committed yesterday.
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2007-06-12
lindahl
Initial multilambda support added, i.e. we can now...
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2007-02-13
hess
added pbc=xy and walls, added a separate mdp option...
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2006-12-07
hess
fixed segv in pairs with FE without perturbed atoms
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2006-04-19
lindahl
fatal.h clashes with system headers on AIX. Renamed...
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2006-03-10
hess
fixed a bug in the LJ lookup for pairs type 3
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2006-03-10
hess
turned of fudgeQQ for pairs type 3
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2006-03-07
hess
fixed a segv in energy-only innerloops with tables
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