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Remove OpenMM
2013-08-20
Mark Abraham
Remove OpenMM
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2013-08-15
Mark Abraham
Productive afternoon of meetings... more quotes!
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2013-08-01
Mark Abraham
Fixed example code function name
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2013-07-30
Mark Abraham
Removed unused variables
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2013-07-25
Mark Abraham
Clarified logic in g_wham
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2013-07-24
Mark Abraham
Add five new quotes
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2013-07-24
Mark Abraham
Merge branch release-4-6 into master
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2013-07-14
Mark Abraham
Fixed possible dereference of null pointer
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2013-07-11
Mark Abraham
Fixed typos in #include guard #defines
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2013-07-09
Mark Abraham
Remove orphan CMake file
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2013-07-07
Mark Abraham
Fixed minor admin issues
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2013-07-05
Mark Abraham
Bump version after 4.6.3 release
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2013-07-01
Mark Abraham
Corrected definition of EEL_USER
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2013-06-25
Mark Abraham
Fixed #include of header for atomics on K-computer
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2013-06-13
Mark Abraham
Remove unused variables
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2013-05-30
Mark Abraham
Merge "Merge branch 'release-4-6'"
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2013-05-30
Mark Abraham
New patch release 4.6.2
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2013-05-30
Mark Abraham
Work around for correct treatment of all-vs-all
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2013-05-25
Mark Abraham
Make FFT detection quieter when nothing is changing
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2013-05-22
Mark Abraham
Clarify g_gyrate -h
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2013-05-22
Mark Abraham
Fix g_chi -omega
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2013-05-21
Mark Abraham
Updated grompp cut-off and PME-Switch checks
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2013-05-21
Mark Abraham
Hack compiler flags to silence warnings on gcc 4.8
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2013-05-17
Mark Abraham
Introduce fatal error for GB with FE
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2013-05-10
Mark Abraham
Merge "Fixes "Function type U-B not implemented in...
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2013-05-10
Mark Abraham
Merge "improve build with OpenMM, still not 100% fixed...
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2013-05-10
Mark Abraham
Merge "fixing rerun with free energy + .xtc or .gro...
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2013-05-07
Mark Abraham
Fix extant references to former GPL licensing
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2013-05-02
Mark Abraham
Merge "Improve master-specific CMake behavior."
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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 "general SIMD acceleration for angles+dihedrals...
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2013-04-29
Mark Abraham
Merge "PME load balancing now checks for PME grid restrictio...
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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 correction...
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2013-04-26
Mark Abraham
Merge "improved load balancing with Verlet cut-off...
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2013-04-26
Mark Abraham
Update linking to MKL and document same
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2013-04-25
Mark Abraham
Merge "Merge branch 'release-4-5-patches'" into release-4-6
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2013-04-22
Mark Abraham
Merge "Use git snapshots of the tests if are on git...
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2013-04-19
Mark Abraham
v-rescale works with tau-t >= 0
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2013-04-12
Mark Abraham
Merge "removed x86 specifics from nbnxn SIMD kernels...
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2013-04-12
Mark Abraham
Merge "corrected log file wall time breakdown" into...
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2013-04-12
Mark Abraham
Merge "made PME work with a mix of 1 and more threads...
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2013-03-12
Mark Abraham
Merge "fix broken things in mkhtml" into release-4-6
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2013-03-11
Mark Abraham
Added install guide section for BLAS/LAPACK
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2013-03-11
Mark Abraham
Merge "Fixes linkage with FFTW + MKL for BLAS/LAPACK...
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2013-03-05
Mark Abraham
New patch release 4.6.1
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2013-03-05
Mark Abraham
Fix automated regression testing GMXLIB value
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2013-03-05
Mark Abraham
Fix regressiontests automated download
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2013-03-05
Mark Abraham
Update shell completions
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2013-03-05
Mark Abraham
Update outdated admin things
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2013-03-05
Mark Abraham
Updated install guide
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2013-03-05
Mark Abraham
Warn if X11 was not found and the user wanted it
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2013-03-05
Mark Abraham
fix broken things in mkhtml
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2013-02-26
Mark Abraham
Uncrustified code changes since 4.6
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2013-02-20
Mark Abraham
Merge release-4-5-patches into release-4-6
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2013-02-18
Mark Abraham
Fix CMake namespace pollution
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2013-02-15
Mark Abraham
Use explicit kernel pointer typecasts
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2013-02-15
Mark Abraham
Merge "Minor fixes to Verlet kernels" into release-4-6
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2013-02-15
Mark Abraham
Bump shared object version to 7
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2013-02-15
Mark Abraham
Merge "improved PME load balancing reporting" into...
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2013-02-15
Mark Abraham
Merge "Re-generated group kernels" into release-4-6
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2013-02-15
Mark Abraham
Merge "Unwinds flag dependencies in g_order." into...
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2013-02-15
Mark Abraham
Merge "use legacy CUDA non-bonded kernels only on Fermi...
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2013-02-15
Mark Abraham
Merge "More descriptive Verlet kernel macro parameter...
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2013-02-15
Mark Abraham
Minor fixes to Verlet kernels
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2013-02-15
Mark Abraham
Merge "Fix and add Verlet kernel error messages" into...
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2013-02-13
Mark Abraham
Fix code bug with thread-MPI on PowerPC with xlc
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2013-02-13
Mark Abraham
More descriptive Verlet kernel macro parameter names
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2013-02-13
Mark Abraham
Fix and add Verlet kernel error messages
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2013-02-13
Mark Abraham
Re-generated group kernels
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2013-02-12
Mark Abraham
Merge "PME-only counters are now reset with -maxh ...
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2013-02-12
Mark Abraham
Merge "fixed bug with sd integrator and OpenMP threading...
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2013-02-12
Mark Abraham
Merge "Fix CUDA_HOST_COMPILER flag name" into release-4-6
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2013-02-12
Mark Abraham
Merge "Remove duplicated clang section"
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2013-02-12
Mark Abraham
Merge "Manual reformatting in preparation for uncrustify."
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2013-02-12
Mark Abraham
Merge "Fix gmxcheck target"
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2013-02-09
Mark Abraham
Typo fix
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2013-02-08
Mark Abraham
Merge "added back cuda.h includes to fix missing CUDA_VERSIO...
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2013-02-08
Mark Abraham
Merge "Fixed flop counting for generic cg/adress kernels...
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2013-02-08
Mark Abraham
Merge "cmake: fixed typo in template CMakeLists.txt...
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2013-02-05
Mark Abraham
Merge "improved load balancing on the GPU" into release-4-6
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2013-02-05
Mark Abraham
Documented what GMX_CPU_ACCELERATION really means
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2013-01-22
Mark Abraham
Merge "Illegal acceleration defaulted to QPX" into...
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2013-01-22
Mark Abraham
Merge "Re-licenced FindGROMACS.cmake (was written by...
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2013-01-22
Mark Abraham
Merge "Fix TOUPPER usage" into release-4-6
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2013-01-22
Mark Abraham
Merge "Updated html manual to 4.6" 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
Mark Abraham
Set version info for 4.6.x release series
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2013-01-18
Mark Abraham
New major release: 4.6
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2013-01-18
Mark Abraham
Fixing copyright issues and code contributors
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2013-01-17
Mark Abraham
Updating the shell completion files
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2013-01-17
Mark Abraham
Gromacs install guide updates.
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2013-01-17
Mark Abraham
Merge "Remove unnecessary ICC flags affecting performance...
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2013-01-17
Mark Abraham
Merge "improved CUDA kernel performance by pre-loading...
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2013-01-17
Mark Abraham
Merge "Fix trjconv -sub with .trr files" into release...
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2013-01-17
Mark Abraham
BlueGene/Q installation notes
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2013-01-17
Mark Abraham
Merge branch 'release-4-5-patches' into release-4-6
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2013-01-17
Mark Abraham
Merge "Added mdp option 'calc-lambda-neighbors'." into...
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2013-01-17
Mark Abraham
Fix trjconv -sub with .trr files
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2013-01-17
Mark Abraham
Finally move OpenMM to contrib
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