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don't print nonbonded kernel info with GMX_NO_NONBONDED
[alexxy/gromacs.git]
/
src
/
mdlib
/
forcerec.c
2012-11-29
Szilard Pall
don't print nonbonded kernel info with GMX_NO_NONBONDED
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2012-11-28
Mark Abraham
Merge "extended nbnxn x86 SIMD kernel blendv support...
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2012-11-28
Szilárd Páll
Merge changes I9b865c4c,Ib709290e into release-4-6
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2012-11-28
Szilard Pall
enable GPU emulation without GPU support
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2012-11-26
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-11-26
Roland Schulz
Merge "Clean up some mathematical constants" into relea...
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2012-11-26
Berk Hess
made nbnxn analytical Ewald consistent
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2012-11-26
Erik Lindahl
Merge "Extended build information output and reference...
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2012-11-26
Berk Hess
added nbnxn analytical Ewald correction kernels
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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
Roland Schulz
Merge "Remove double declaration in headers" into relea...
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2012-11-17
Roland Schulz
Remove double declaration in headers
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2012-11-17
Roland Schulz
Merge "Removing Zn and Ar non-OPLS atom types" into...
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2012-11-15
Christoph Junghans
Merge "Test that compiling and linking of AVX works...
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2012-11-15
Berk Hess
fixed incorrect 1-4 energies with OpenMP + energy groups
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2012-11-08
Roland Schulz
Merge "Fixed bug in the new switch-modified interaction...
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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
Christoph Junghans
Merge "Relocated logic of simple-vs-GPU Ewald table...
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2012-11-08
Mark Abraham
Relocated logic of simple-vs-GPU Ewald table generation
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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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2012-10-25
Roland Schulz
Merge "fix CUDA non-bonded kernel pointer assignment...
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2012-10-23
Roland Schulz
Merge "moved part of nbnxn_search.c to nbnxn_atomdata...
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2012-10-23
Berk Hess
moved part of nbnxn_search.c to nbnxn_atomdata.c
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2012-10-17
Kasson
Merge "Make Gromacs compile without C++ compiler" into...
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2012-10-08
Berk Hess
made non-bonded potential shifts mdp options
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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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2012-07-25
Roland Schulz
Merge "cmake: allow switch between single and double...
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2012-07-25
Roland Schulz
Merge "fix a segfault in sse_mask_init" into release-4-6
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2012-07-24
Mark Abraham
Clean up of environment variables
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2012-07-13
Roland Schulz
Merge release-4.5-patches into HEAD
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2012-06-26
Roland Schulz
Merge "Fix gmx_fatal for serial compilation" into relea...
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2012-06-25
Berk Hess
added check for log fp!=NULL when disabling acceleration
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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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2012-04-25
Berk Hess
replaced PPPM by P3M-AD: a few lines in pme.c
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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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2012-03-18
David van der Spoel
Merge "Merge release-4-5-patches into release-4-6"...
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2012-03-16
Berk Hess
fixed incorrect table allocation
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2012-03-16
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-03-15
Roland Schulz
Fix most errors found by cppcheck
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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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2012-02-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-02-02
Szilárd Páll
Merge "Merges in threading branch as one squashed commi...
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2012-02-01
Christoph Junghans
initialize adress_do_hybridpairs=FALSE by default
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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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2011-08-12
Berk Hess
implemented full exclusion support for the charge-group...
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2011-07-01
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2011-07-01
Justin A. Lemkul
Fixed PME citation.
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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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2010-10-12
Berk Hess
fixed incorrect dispersion correction for TPI with...
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2010-08-30
Christoph Junghans
forcerec.c: added missing int
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2010-08-27
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-27
Erik Lindahl
Added check for SSE2 support to use generalized born...
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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
Enabled double precision all-vs-all kernels. Tested...
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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
Berk
env.var. GMX_NB_GENERIC no turns off solvent optimizati...
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2010-08-09
Berk
added exclusion check for cg-cg innerloops
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2010-08-06
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-05
Berk Hess
sc_sigma now also sets the minimum value for the soft...
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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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2010-07-26
Berk Hess
added natoms_force_constr to t_forcerec
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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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2010-07-10
Michael Shirts
Fixed minor formatting conflict.
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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
Rossen Apostolov
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-02
Rossen Apostolov
Disable AllvsAll kernels for very small systems (<...
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2010-06-20
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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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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2010-06-16
kasson
Merge branch 'mymaster'
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2010-06-15
Berk Hess
allvsall loops now trigger particle decomposition
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2010-06-09
Gerrit Groenhof
Merge branch 'master' into qmmm
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