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flops table now reports CUDA analytical Ewald
[alexxy/gromacs.git]
/
src
/
mdlib
/
sim_util.c
2013-06-20
Berk Hess
flops table now reports CUDA analytical Ewald
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2013-05-10
Sander Pronk
Merge "Fixing handling of perturbation mass changes...
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2013-05-10
Mark Abraham
Merge "Fixes "Function type U-B not implemented in...
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2013-04-29
Carsten Kutzner
Evaluate enforced rotation potenial with Verlet, fixes...
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2013-04-29
Mark Abraham
Merge "Update linking to MKL and document same" into...
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2013-04-29
Mark Abraham
Merge "PME load balancing now checks for PME grid restr...
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2013-04-29
Mark Abraham
Merge "Fixing a problem with dh/dl 1-4 interactions...
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2013-04-26
Mark Abraham
Merge "CUDA PME kernels with analytical Ewald correctio...
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2013-04-26
Mark Abraham
Merge "improved load balancing with Verlet cut-off...
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2013-04-19
Teemu Murtola
Merge branch 'release-4-5-patches'
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2013-04-12
Berk Hess
improved load balancing with Verlet cut-off scheme
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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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2013-01-22
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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2013-01-15
Sander Pronk
Merge "Continuation of documentation for expanded ensem...
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2013-01-14
Carsten Kutzner
Essential dynamics output file now in .xvg format
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2013-01-13
Mark Abraham
Merge "Added basic CPU topology information to cpuid...
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2013-01-12
Christoph Junghans
Merge "Added missing export" into release-4-6
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2013-01-11
Erik Lindahl
Merge "made SHAKE work again with particle decompostion...
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2013-01-11
Roland Schulz
Merge "time the GPU force clearing async launch overhea...
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2013-01-11
Roland Schulz
Merge release-4-5-patches into release-4-6
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2013-01-11
Szilard Pall
time the GPU force clearing async launch overhead
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2013-01-07
Roland Schulz
Merge "Essential dynamics: fixed restarts when ED group...
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2012-12-20
Erik Lindahl
Merge "Small fix for g_tune_pme" into release-4-6
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2012-12-19
Mark Abraham
Merge "Remove the rest of the fortran/power6 accelerati...
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2012-12-19
Mark Abraham
Merge "Always build template program" into release-4-6
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2012-12-19
Szilárd Páll
Merge "Avoid using undefined CMake variables" into...
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2012-12-19
Szilárd Páll
Merge "Removed orphan file" into release-4-6
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2012-12-19
Roland Schulz
Merge "Fix license text printed by programs." into...
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2012-12-19
Roland Schulz
Merge changes Idc652236,If03cf569 into release-4-6
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2012-12-18
Berk Hess
implemented nbnxn AVX-256 2x(N+N) kernels
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2012-11-29
Mark Abraham
Update copyright statements and change license to LGPL
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2012-11-27
Michael Shirts
Removes memory allocation from free energy foreign...
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2012-11-27
Roland Schulz
Add visibility defines
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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
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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2012-11-23
Roland Schulz
Merge "removed group non-boneded call with verlet schem...
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2012-11-23
Szilard Pall
removed group non-boneded call with verlet scheme
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2012-11-20
Roland Schulz
Merge release-4-5-patches into release-4-6
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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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2012-10-25
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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2012-09-24
Kasson
Merge "Fixed segfault with FE code for older tpr files...
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2012-09-10
Roland Schulz
Merge "Update use of CPack components and add install...
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2012-09-07
Christoph Junghans
Merge "Fix VMD plugins on Windows" into release-4-6
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2012-09-04
Christoph Junghans
Merge "Fixes too many backup files for *.nroff files...
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2012-09-03
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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2012-08-07
Christoph Junghans
Merge "fixed incorrect TPI results with dynamic box...
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2012-08-07
Carsten Kutzner
Fixed essential dynamics / flooding group PBC serial
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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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2012-05-07
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 "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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2012-04-26
Szilárd Páll
Merge "fixed initial COM motion removal with multiple...
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2012-04-25
Berk Hess
replaced PPPM by P3M-AD: a few lines in pme.c
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2012-04-25
Berk Hess
fixed initial COM motion removal with multiple groups
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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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2012-03-27
Berk Hess
added correction for PME virial with non-linear virtual...
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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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2012-02-09
Szilard Pall
renamed GMX_THREADS to GMX_THREAD_MPI
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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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2012-01-19
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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2011-12-26
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2011-12-20
Roland Schulz
Merge release-4-5-patches into release-4-6
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2011-12-19
Carsten Kutzner
Enforced rotation
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2011-05-05
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2011-04-04
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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2011-03-05
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2011-03-01
Carsten Kutzner
Fixed bug #714: deprecated structure in gettimeofday
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2011-01-30
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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2010-08-26
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-26
Rossen Apostolov
Removed the unnecessary hacks from some boolean statements.
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2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
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2010-08-23
Rossen Apostolov
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-22
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-22
Erik Lindahl
Cleaned up all installed headers to remove strict depen...
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2010-08-21
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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