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Merge "Fixed an initialization issue in gmx_dipoles." into release-4-6
[alexxy/gromacs.git]
/
include
/
2013-02-15
Mark Abraham
Merge "use legacy CUDA non-bonded kernels only on Fermi...
tree
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commitdiff
2013-02-15
Mark Abraham
Merge "More descriptive Verlet kernel macro parameter...
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commitdiff
2013-02-15
Mark Abraham
Merge "Fix and add Verlet kernel error messages" into...
tree
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commitdiff
2013-02-13
Sander Pronk
Merge "Fix code bug with thread-MPI on PowerPC with...
tree
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commitdiff
2013-02-13
Roland Schulz
Merge "improve setup of multiple tf tables" into releas...
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commitdiff
2013-02-13
Mark Abraham
Fix code bug with thread-MPI on PowerPC with xlc
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commitdiff
2013-02-13
Roland Schulz
Merge "Updated FindGSL.cmake to version written by...
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commitdiff
2013-02-12
Mark Abraham
Merge "PME-only counters are now reset with -maxh ...
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commitdiff
2013-02-12
Mark Abraham
Merge "fixed bug with sd integrator and OpenMP threadin...
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commitdiff
2013-02-09
Roland Schulz
Merge "Typo fix" into release-4-6
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commitdiff
2013-02-08
Mark Abraham
Merge "added back cuda.h includes to fix missing CUDA_V...
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commitdiff
2013-02-08
Mark Abraham
Merge "Fixed flop counting for generic cg/adress kernel...
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commitdiff
2013-02-02
Christoph Junghans
Fixed flop counting for generic cg/adress kernels
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commitdiff
2013-02-01
Berk Hess
PME-only counters are now reset with -maxh -resethway
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commitdiff
2013-01-22
Mark Abraham
Merge "added missing cleanup of some nbnxn_cuda data...
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commitdiff
2013-01-18
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2013-01-18
Roland Schulz
Code beautification with uncrustify
tree
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commitdiff
2013-01-18
Berk Hess
thread affinity now uses some topology information
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commitdiff
2013-01-18
Mark Abraham
Fixing copyright issues and code contributors
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commitdiff
2013-01-17
Mark Abraham
Merge "Remove unnecessary ICC flags affecting performan...
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commitdiff
2013-01-17
Mark Abraham
Merge "improved CUDA kernel performance by pre-loading...
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commitdiff
2013-01-17
Christoph Junghans
Merge "Added note about make_edi and flooding in ED...
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commitdiff
2013-01-17
Christoph Junghans
Merge "use the compiler version provided by CMake ...
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commitdiff
2013-01-17
Roland Schulz
Merge "Merge branch 'release-4-5-patches' into release...
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commitdiff
2013-01-17
Mark Abraham
Merge branch 'release-4-5-patches' into release-4-6
tree
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commitdiff
2013-01-17
Christoph Junghans
Merge "note the reason for auto-disabling GPU support...
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commitdiff
2013-01-17
Mark Abraham
Merge "Added mdp option 'calc-lambda-neighbors'." into...
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commitdiff
2013-01-17
Roland Schulz
Merge "clarify wording of GPU driver-related notes...
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commitdiff
2013-01-17
Roland Schulz
Merge "Added check for valid wall_atomtype in .mdp...
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commitdiff
2013-01-17
Sander Pronk
Added mdp option 'calc-lambda-neighbors'.
tree
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commitdiff
2013-01-17
Sander Pronk
Fixes to free energy code, output & g_bar compatibility.
tree
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commitdiff
2013-01-17
Mark Abraham
Finally move OpenMM to contrib
tree
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commitdiff
2013-01-17
Szilard Pall
don't use polling with new driver
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commitdiff
2013-01-17
Christoph Junghans
clean up fortran name mangling
tree
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commitdiff
2013-01-17
Berk Hess
made PME load balancing + DD DLB more efficient
tree
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commitdiff
2013-01-16
Mark Abraham
Quiet stderr output, particularly for multi-simulations
tree
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commitdiff
2013-01-16
Michael Shirts
fixes issues with pressure control and infrequent evalu...
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commitdiff
2013-01-15
Mark Abraham
Merge "Hid nbnxn kernel names behind a lookup function...
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commitdiff
2013-01-15
Christoph Junghans
Merge "Added fatal error for constraints + L-BFGS minim...
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commitdiff
2013-01-15
Sander Pronk
Merge "Continuation of documentation for expanded ensem...
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commitdiff
2013-01-14
Mark Abraham
Hid nbnxn kernel names behind a lookup function
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commitdiff
2013-01-14
Carsten Kutzner
Essential dynamics output file now in .xvg format
tree
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commitdiff
2013-01-14
David van der Spoel
Merge "Fixing trjconv -sub" into release-4-5-patches
tree
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commitdiff
2013-01-14
David van der Spoel
Merge "Noting that and why gmxdump -s -sys is broken...
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commitdiff
2013-01-13
Mark Abraham
Updated code checks with distance restraints
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commitdiff
2013-01-13
Christoph Junghans
Merge "Remove unused bfunc.h." into release-4-6
tree
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commitdiff
2013-01-13
Christoph Junghans
Merge "Manage BlueGene/Q configuration" into release-4-6
tree
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commitdiff
2013-01-13
Christoph Junghans
Merge "Re-organize BlueGene toolchain files" into relea...
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commitdiff
2013-01-13
Christoph Junghans
Merge "Changed defaults for building shared libraries...
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commitdiff
2013-01-13
Roland Schulz
Merge "prepared the nbnxn code for non-x86 SIMD" into...
tree
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commitdiff
2013-01-13
Mark Abraham
Merge "Added basic CPU topology information to cpuid...
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commitdiff
2013-01-12
Berk Hess
prepared the nbnxn code for non-x86 SIMD
tree
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commitdiff
2013-01-12
Christoph Junghans
Merge "Added missing export" into release-4-6
tree
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commitdiff
2013-01-11
Erik Lindahl
Merge "made SHAKE work again with particle decompostion...
tree
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commitdiff
2013-01-11
Christoph Junghans
Merge "Fix CUDA being quiet and mark all CUDA_* as...
tree
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commitdiff
2013-01-11
Erik Lindahl
Added basic CPU topology information to cpuid code
tree
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commitdiff
2013-01-11
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2013-01-11
Berk Hess
made SHAKE work again with particle decompostion
tree
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commitdiff
2013-01-11
Roland Schulz
Added missing export
tree
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commitdiff
2013-01-10
Mark Abraham
Merge "Revert default rlist/rvdw/rcoulomb to valid...
tree
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commitdiff
2013-01-10
Mark Abraham
Merge "fixed bug with Verlet + DD + bonded atom communi...
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commitdiff
2013-01-10
Roland Schulz
Merge "Move Windows shared/static options to later...
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commitdiff
2013-01-10
Roland Schulz
Merge "Remove workaround" into release-4-6
tree
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commitdiff
2013-01-10
Erik Lindahl
Remove broken g_dih tool
tree
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commitdiff
2013-01-10
Mark Abraham
Merge "Fixes SSE/AVX compilation under Windows" into...
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commitdiff
2013-01-10
Erik Lindahl
Fixes SSE/AVX compilation under Windows
tree
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commitdiff
2013-01-09
Erik Lindahl
Merge "Corrected gmxcheck output for Gromos96 bonds...
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commitdiff
2013-01-09
Roland Schulz
Merge "Added work-around for gcc bug in AVX intrinsincs...
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commitdiff
2013-01-09
Roland Schulz
Merge "[tools] g_sans - add trajectory avereging" into...
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commitdiff
2013-01-09
Erik Lindahl
Added work-around for gcc bug in AVX intrinsincs formal...
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commitdiff
2013-01-07
Roland Schulz
Merge "cmake: remove double-negative quotes logic"...
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commitdiff
2013-01-07
Roland Schulz
Merge "Ignore bool cast warning for MSVC and C++" into...
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commitdiff
2013-01-07
David van der Spoel
Merge "Removed reference to nonexistent file in g_helix...
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commitdiff
2013-01-07
Roland Schulz
Merge "improved reporting of failed affinity setting...
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commitdiff
2013-01-07
Roland Schulz
Merge "Fixed format error in online manual." into relea...
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commitdiff
2013-01-07
Roland Schulz
Merge "Fixed a bug that with multiple exchanges" into...
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commitdiff
2013-01-07
Roland Schulz
Merge "Essential dynamics: fixed restarts when ED group...
tree
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commitdiff
2013-01-07
Roland Schulz
Merge "minor speed-up and code clean-up in nbnxn kernel...
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commitdiff
2013-01-07
Christoph Junghans
Merge "Make gmx_cpuid.h self-standing." into release-4-6
tree
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commitdiff
2013-01-04
Teemu Murtola
Merge "Minor fixes to g_angle help description." into...
tree
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commitdiff
2013-01-04
Teemu Murtola
Merge "Fixed error message for zwitterion residues...
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commitdiff
2013-01-03
Roland Schulz
Merge "Fixed GMXRC so we are not polluting standard...
tree
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commitdiff
2013-01-03
Christoph Junghans
Merge "Remove non-functional PowerPC invsqrt." into...
tree
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commitdiff
2013-01-02
Berk Hess
minor speed-up and code clean-up in nbnxn kernels
tree
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commitdiff
2012-12-30
Erik Lindahl
Merge "Thread-MPI fixes for i386 llvm & simplification...
tree
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commitdiff
2012-12-30
Teemu Murtola
Remove non-functional PowerPC invsqrt.
tree
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commitdiff
2012-12-29
Sander Pronk
Thread-MPI fixes for i386 llvm & simplification of...
tree
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commitdiff
2012-12-22
Roland Schulz
Add missing visibility exports
tree
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commitdiff
2012-12-21
Teemu Murtola
Make gmx_cpuid.h self-standing.
tree
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commitdiff
2012-12-20
Erik Lindahl
Merge "Small fix for g_tune_pme" into release-4-6
tree
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commitdiff
2012-12-20
Carsten Kutzner
Essential dynamics: fixed restarts when ED group has...
tree
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commitdiff
2012-12-19
Mark Abraham
Merge "Remove the rest of the fortran/power6 accelerati...
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commitdiff
2012-12-19
Mark Abraham
Merge "Always build template program" into release-4-6
tree
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commitdiff
2012-12-19
Szilárd Páll
Merge "Avoid using undefined CMake variables" into...
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commitdiff
2012-12-19
Szilárd Páll
Merge "Removed orphan file" into release-4-6
tree
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commitdiff
2012-12-19
Roland Schulz
Merge "Fix license text printed by programs." into...
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commitdiff
2012-12-19
Roland Schulz
Merge changes Idc652236,If03cf569 into release-4-6
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commitdiff
2012-12-18
Berk Hess
renamed gmx_x86_simd_macros.h to gmx_simd_macros.h
tree
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commitdiff
2012-12-18
Berk Hess
implemented nbnxn AVX-256 2x(N+N) kernels
tree
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commitdiff
2012-12-17
Teemu Murtola
Fix license text printed by programs.
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