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removed group non-boneded call with verlet scheme
[alexxy/gromacs.git]
/
src
/
mdlib
/
force.c
2012-11-23
Szilard Pall
removed group non-boneded call with verlet scheme
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2012-11-20
Christoph Junghans
Merge "Fix g_msd -mol" into release-4-6
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2012-11-20
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-11-17
Roland Schulz
Merge "Removing Zn and Ar non-OPLS atom types" into...
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2012-11-16
David van der Spoel
Merge "Removes unused files" into release-4-6
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2012-11-16
Erik Lindahl
SSE2 single-precision kernels
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2012-11-08
Christoph Junghans
Merge "auto-set nvcc host compiler with FindMPI detecti...
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2012-11-08
Erik Lindahl
Infrastructure for new group kernels, and new C kernels
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2012-11-03
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-10-22
Roland Schulz
Fix clang 3.2 unintialized variable warnings
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2012-10-02
Szilard Pall
added Verlet scheme and NxN non-bonded functionality
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2012-10-01
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-09-03
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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2012-07-13
Roland Schulz
Merge release-4.5-patches into HEAD
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2012-06-04
Michael Shirts
Merging in free energy, exp. ensemble, & andersen t...
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2012-06-01
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-06-01
Christoph Junghans
Merge "Use External BLAS/LAPACK by default" into releas...
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2012-05-24
Teemu Murtola
Merge "Code cleanup to avoid name collisions" into...
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2012-05-17
Teemu Murtola
Merge "Fixing more clang warnings" into release-4-6
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2012-05-16
Roland Schulz
Fixing more clang warnings
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2012-05-07
Teemu Murtola
Merge branch 'gerrit/release-4-5-patches' into release-4-6
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2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-04-26
Berk Hess
Merge release-4-5-patches into release-4-6
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2012-04-25
Berk Hess
replaced PPPM by P3M-AD: a few lines in pme.c
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2011-01-30
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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2010-10-28
David van der Spoel
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-10-09
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-10-08
Berk Hess
fixed combination of tpic with pme, pme mesh energy...
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2010-09-20
Per Larsson
Changes to GB non-polar solvation calculations
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2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
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2010-08-18
Michael Shirts
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2010-08-18
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-18
Erik Lindahl
Fix to write GB and surface energy to separate terms...
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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
Fixes for PME-User-Switch.
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2010-07-28
Christoph Junghans
Merge branch 'master' of git://git.gromacs.org/gromacs
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2010-07-28
Berk Hess
renamed pme_maxshift0/1 to pme_maxshift_x/y
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2010-07-15
David van der Spoel
Fixed compilation issue corresponding to bug 468
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2010-07-12
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-07-12
David van der Spoel
Added initialization of pbc struct in genborn.c.
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2010-07-10
Michael Shirts
Fixed minor formatting conflict.
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2010-07-09
David van der Spoel
Added initialization of pbc structure before calc_gb_fo...
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2010-06-09
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-05-16
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-07
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-07
Berk Hess
made PME energy and virial calculation optional
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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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2010-01-26
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-01-26
Per Larsson
Merge branch 'master' of git.gromacs.org:gromacs
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2010-01-26
Per Larsson
Simplified neighborlist setup with GB and enroute to...
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2010-01-19
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-07
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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2010-01-04
Michael Shirts
No longer need to specify fep-lambda every time --...
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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
Fix for nonbondeds.
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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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2009-12-21
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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2009-12-19
Michael Shirts
Committing to merge
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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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2009-12-17
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-15
Roland Schulz
Merge branch '2dpme' of git@git.gromacs.org:gromacs...
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2009-12-15
Berk Hess
merged with master
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2009-12-15
Berk Hess
added PME subdivision to cycle counters
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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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2009-10-25
Michael Shirts
Made changes suggested by Berk.
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2009-10-16
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-10-08
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2009-10-08
Berk Hess
split force.c into forcerec.c and force.c and added...
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2009-09-26
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-09-25
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2009-09-24
Berk Hess
fixed incorrect #ifdef which did not allow vaccuum...
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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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2009-09-14
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
renamed gmx_step_t to gmx_large_int_t. gmx_large_int_t...
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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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2009-08-25
Berk Hess
removed erronous contribution of electric fields to...
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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
Ewald now thread-safe (and fails in the same binary...
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2009-08-11
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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