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Make sure water optimization is disabled for esoteric interactions
[alexxy/gromacs.git]
/
src
/
gmxlib
/
nonbonded
/
nonbonded.c
2014-04-07
Erik Lindahl
Make sure water optimization is disabled for esoteric...
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2013-05-30
Mark Abraham
Work around for correct treatment of all-vs-all
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2013-05-21
Erik Lindahl
Fujitsu Sparc64 acceleration and general fixes for...
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2013-04-19
Teemu Murtola
Merge branch 'release-4-5-patches'
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2013-03-26
Roland Schulz
Merge release-4-5-patches into release-4-6
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2013-02-20
Mark Abraham
Merge release-4-5-patches into release-4-6
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2013-02-15
Mark Abraham
Use explicit kernel pointer typecasts
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2013-01-22
Mark Abraham
Merge "added missing cleanup of some nbnxn_cuda data...
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2013-01-18
Roland Schulz
Merge release-4-5-patches into release-4-6
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2013-01-18
Roland Schulz
Code beautification with uncrustify
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2013-01-18
Mark Abraham
Fixing copyright issues and code contributors
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2013-01-17
Mark Abraham
Merge branch 'release-4-5-patches' into release-4-6
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2013-01-11
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-12-10
Christoph Junghans
Merge "force C++ linking of the gpu_utils" into release-4-6
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2012-12-09
Roland Schulz
Merge "Fix build of template and other external code...
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2012-12-06
Sebastian Fritsch
Re-enable AdResS feature
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2012-11-29
Mark Abraham
Update copyright statements and change license to LGPL
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2012-11-29
Mark Abraham
Merge "Added .gitignore for kernel generation" into...
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2012-11-29
Mark Abraham
Merge "Double precision AVX-256 kernels" into release-4-6
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2012-11-29
Mark Abraham
Merge "Fixing issue with GPU detection reporting" into...
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2012-11-29
Mark Abraham
Merge "Double precision AVX_128_FMA kernels" into relea...
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2012-11-29
Erik Lindahl
Double precision AVX-256 kernels
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2012-11-29
Erik Lindahl
Double precision AVX_128_FMA kernels
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2012-11-29
Mark Abraham
Merge "automation for setting GMX_GPU & cmake GPU detec...
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2012-11-29
Szilard Pall
don't print nonbonded kernel info with GMX_NO_NONBONDED
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2012-11-29
Mark Abraham
Merge "SSE4.1 double precision kernels" into release-4-6
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2012-11-29
Mark Abraham
Merge "Double precision SSE2 kernels" into release-4-6
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2012-11-28
Erik Lindahl
SSE4.1 double precision kernels
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2012-11-28
Erik Lindahl
Double precision SSE2 kernels
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2012-11-28
Mark Abraham
Merge "Fix Window-GPU build" into release-4-6
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2012-11-28
Christoph Junghans
Merge "Fix cpack src ignore rule" into release-4-6
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2012-11-28
Roland Schulz
Merge "Remove CVS files" into release-4-6
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2012-11-28
Erik Lindahl
128-bit AVX kernels, with FMA instructions for Opteron...
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2012-11-27
Erik Lindahl
Nonbonded group kernels for 256-bit AVX (Intel CPUs)
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2012-11-26
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-11-23
Szilárd Páll
Merge "Updates to CMake treatment of OpenMP" into relea...
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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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2012-11-19
Roland Schulz
Merge changes Ibc555d88,Iaf6f3051 into release-4-6
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2012-11-19
Mark Abraham
Merge "SSE4.1 single-precision kernels" into release-4-6
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2012-11-19
Erik Lindahl
SSE4.1 single-precision kernels
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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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2012-11-15
Christoph Junghans
Merge "Test that compiling and linking of AVX works...
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2012-11-13
Erik Lindahl
Removed some unnecessary instructions, and fixed a...
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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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2012-10-02
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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2012-06-24
Michael Shirts
Merge "Fix mdp_opt formatting of expanded ensemble...
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2012-06-22
Christoph Junghans
Merge "Simple patch for openmm_wrapper.cpp" into releas...
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2012-06-16
Erik Lindahl
New CPU detection & AVX/SSE code, removed raw assembly...
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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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2012-05-07
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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2012-04-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-03-28
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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2012-03-16
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-02-29
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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2012-02-23
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-02-08
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-02-08
Christoph Junghans
Merge "fixed confusing nonbonded kernel pointer initial...
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2012-02-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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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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