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Merge changes I930b316c,Iea4283e0,I103648f8 into release-4-6
2013-01-17
Szilárd Páll
Merge changes I930b316c,Iea4283e0,I103648f8 into release-4-6
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2013-01-17
Mark Abraham
BlueGene/Q installation notes
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2013-01-17
Christoph Junghans
Merge "note the reason for auto-disabling GPU support...
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2013-01-17
Mark Abraham
Merge "Added mdp option 'calc-lambda-neighbors'." into...
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2013-01-17
Roland Schulz
Merge "clarify wording of GPU driver-related notes...
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2013-01-17
Berk Hess
fixed SD+BD integration slowing down with OpenMP threads
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2013-01-17
Roland Schulz
Run regressiontests from build
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2013-01-17
Sander Pronk
Added mdp option 'calc-lambda-neighbors'.
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2013-01-17
Mark Abraham
Finally move OpenMM to contrib
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2013-01-17
Roland Schulz
Fix confusing gmx_header_config.h include
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2013-01-17
Szilard Pall
don't use polling with new driver
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2013-01-17
Christoph Junghans
clean up fortran name mangling
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2013-01-17
Berk Hess
fixed nbnxn hybrid mode with OpenMP
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2013-01-17
Berk Hess
made PME load balancing + DD DLB more efficient
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2013-01-16
Christoph Junghans
Remove debug statment
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2013-01-15
Mark Abraham
Merge "Hid nbnxn kernel names behind a lookup function...
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2013-01-15
Christoph Junghans
Merge "disable OpenMP with all OS X gcc 4.2-based compilers...
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2013-01-15
Sander Pronk
Merge "Continuation of documentation for expanded ensemble...
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2013-01-14
Carsten Kutzner
Essential dynamics output file now in .xvg format
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2013-01-13
Roland Schulz
Merge "Fixes for md-vv and rerun" into release-4-6
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2013-01-13
Roland Schulz
Merge "fixed resetting states with parallel Verlet...
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2013-01-13
Roland Schulz
Proper fix for copyrite cuda dependence
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2013-01-13
Michael Shirts
Fixes for md-vv and rerun
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2013-01-13
Berk Hess
fixed resetting states with parallel Verlet scheme
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2013-01-13
Christoph Junghans
Merge "Remove unused bfunc.h." into release-4-6
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2013-01-13
Christoph Junghans
Merge "Clarified some comments & warnings about thread...
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2013-01-13
Christoph Junghans
Merge "Manage BlueGene/Q configuration" into release-4-6
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2013-01-13
Christoph Junghans
Merge "Re-organize BlueGene toolchain files" into release-4-6
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2013-01-13
Christoph Junghans
Merge "Changed defaults for building shared libraries...
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2013-01-13
Mark Abraham
Clarified some comments & warnings about thread pinning
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2013-01-13
Roland Schulz
Merge "prepared the nbnxn code for non-x86 SIMD" into...
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2013-01-13
Mark Abraham
Merge "Added basic CPU topology information to cpuid...
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2013-01-12
Berk Hess
prepared the nbnxn code for non-x86 SIMD
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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 overhead...
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2013-01-11
Christoph Junghans
Merge "console and log output improvements" into release-4-6
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2013-01-11
Christoph Junghans
Merge "Fix CUDA being quiet and mark all CUDA_* as...
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2013-01-11
Erik Lindahl
Added basic CPU topology information to cpuid code
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2013-01-11
Erik Lindahl
Merge "fixed nbnxn no LJ comb.rule AVX256 PME kernel...
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2013-01-11
Roland Schulz
Merge "Handle compiler flags more flexibly" into release-4-6
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2013-01-11
Christoph Junghans
Merge "Remove incorrect assert added by 05f9a740" into...
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2013-01-10
Berk Hess
fixed nbnxn no LJ comb.rule AVX256 PME kernel
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2013-01-10
Erik Lindahl
Fixed flop-accounting for periodic improper dihedrals
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2013-01-10
Mark Abraham
Merge "Revert default rlist/rvdw/rcoulomb to valid...
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2013-01-10
Mark Abraham
Merge "fixed bug with Verlet + DD + bonded atom communicatio...
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2013-01-10
Roland Schulz
Handle compiler flags more flexibly
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2013-01-10
Erik Lindahl
Disallow the use of Clang to compile AVX_128_FMA
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2013-01-10
Roland Schulz
Merge "Move Windows shared/static options to later...
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2013-01-10
Roland Schulz
Merge "Remove workaround" into release-4-6
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2013-01-10
Roland Schulz
Move Windows shared/static options to later point
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2013-01-10
Roland Schulz
Remove workaround
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2013-01-10
Erik Lindahl
Remove broken g_dih tool
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2013-01-10
Mark Abraham
Merge "Fixes SSE/AVX compilation under Windows" into...
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2013-01-09
Erik Lindahl
Merge "Corrected gmxcheck output for Gromos96 bonds...
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2013-01-09
Roland Schulz
Merge "Added work-around for gcc bug in AVX intrinsincs...
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2013-01-09
Roland Schulz
Merge "Add check to remove zero Charmm dihedrals" into...
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2013-01-09
Roland Schulz
Merge "[tools] g_sans - add trajectory avereging" into...
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2013-01-08
Erik Lindahl
Add check to remove zero Charmm dihedrals
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2013-01-08
Erik Lindahl
Do not always add -msse2 to release flags for icc
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2013-01-08
Roland Schulz
Merge "Reduce use of monolithic sets of compiler flags...
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2013-01-07
Roland Schulz
Merge "fixed nbnxn AVX-256 Ewald table pointer alignment...
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2013-01-07
Mark Abraham
Reduce use of monolithic sets of compiler flags
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2013-01-07
Roland Schulz
Merge "cmake: remove double-negative quotes logic"...
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2013-01-07
Roland Schulz
Merge "Print out atom numbers in g_rmsf" into release...
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2013-01-07
Berk Hess
fixed nbnxn AVX-256 Ewald table pointer alignment
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2013-01-07
Roland Schulz
Merge "Ignore bool cast warning for MSVC and C++" into...
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2013-01-07
David van der Spoel
Merge "Removed reference to nonexistent file in g_helix...
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2013-01-07
Roland Schulz
Merge "improved reporting of failed affinity setting...
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2013-01-07
Roland Schulz
Merge "Fixed format error in online manual." into release-4-6
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2013-01-07
Roland Schulz
Merge "Fixed a bug that with multiple exchanges" into...
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2013-01-07
Roland Schulz
Merge "Essential dynamics: fixed restarts when ED group...
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2013-01-07
Roland Schulz
Merge "minor speed-up and code clean-up in nbnxn kernels...
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2013-01-07
Christoph Junghans
Merge "Make gmx_cpuid.h self-standing." into release-4-6
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2013-01-04
Teemu Murtola
Merge "Minor fixes to g_angle help description." into...
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2013-01-04
Mark Abraham
Set CMake module search path at a better time
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2013-01-04
Teemu Murtola
Merge "add an option to not build the template" into...
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2013-01-04
Teemu Murtola
Merge "Add missing defines to PKG_CFLAGS" into release-4-6
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2013-01-04
Teemu Murtola
Merge "Fixed error message for zwitterion residues...
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2013-01-03
Christoph Junghans
add an option to not build the template
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2013-01-03
Christoph Junghans
Add missing defines to PKG_CFLAGS
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2013-01-03
Roland Schulz
Merge "Fixed GMXRC so we are not polluting standard...
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2013-01-03
Christoph Junghans
Merge "Remove non-functional PowerPC invsqrt." into...
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2012-12-30
Erik Lindahl
Merge "Thread-MPI fixes for i386 llvm & simplification...
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2012-12-22
Alexey Shvetsov
[tools] g_sans - add trajectory avereging
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2012-12-22
Mark Abraham
New beta release: 4.6-beta3
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2012-12-22
Christoph Junghans
cmake: mark FFTW_HAVE_{SIMD,AVX} as advanced
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2012-12-22
Roland Schulz
Add missing visibility exports
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2012-12-21
Christoph Junghans
Merge "Remove non-functional compiler override for...
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2012-12-21
Erik Lindahl
Fixed gmx_cpuid not working on non-x86
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2012-12-20
Erik Lindahl
Merge "cmake: added option to disable quotes" into...
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2012-12-20
Erik Lindahl
Merge "Small fix for g_tune_pme" into release-4-6
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2012-12-20
Erik Lindahl
Merge "Fixes for andersen temperature control" into...
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2012-12-20
Erik Lindahl
Merge "Fixes for expanded ensemble and HREPEX" into...
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2012-12-20
Christoph Junghans
Merge "Fixed AVX256 double-precision kernels for gcc...
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2012-12-20
Christoph Junghans
cmake: added option to disable quotes
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2012-12-20
Michael Shirts
Fixes for andersen temperature control
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2012-12-20
Michael Shirts
Fixes for expanded ensemble and HREPEX
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2012-12-19
Mark Abraham
Merge "Remove the rest of the fortran/power6 acceleration...
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2012-12-19
Mark Abraham
Merge "Always build template program" into release-4-6
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