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alexxy/gromacs.git
2015-07-16
Alexey Shvetsov
Fix build failure in view/filter.cpp
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2015-07-14
Erik Lindahl
Move fileio sources to C++
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2015-07-14
Mark Abraham
Converted gmxpreprocess to compile as C++
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2015-07-14
Erik Lindahl
Move remaining C files in utility to C++
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2015-07-11
Roland Schulz
Update kernel templates to match kernels
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2015-07-10
Erik Lindahl
Use cmakedefine01 for more trivial defines
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2015-07-10
Erik Lindahl
Moved tools files to C++
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2015-07-10
Teemu Murtola
More gmxfio simplification
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2015-07-09
Erik Lindahl
Merge "Merge release-5-1 into master"
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2015-07-09
Roland Schulz
New quotes
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2015-07-08
Roland Schulz
Merge release-5-1 into master
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2015-07-08
Roland Schulz
Merge release-5-0 into release-5-1
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2015-07-08
Erik Lindahl
Move generalized born to C++
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2015-07-08
Erik Lindahl
Move FFT defines to use cmakedefine01
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2015-07-08
Berk Hess
Separated bonded and Ewald correction threading
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2015-07-08
Erik Lindahl
Move endian, float format and XDR settings to cmakedefine01
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2015-07-08
Erik Lindahl
Cleanup and remove unused SSE2 generalized born code
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2015-07-08
Roland Schulz
Merge release-4-6 into release-5-0
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2015-07-08
Erik Lindahl
Move old neighborsearch code to C++
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2015-07-07
Erik Lindahl
Move QMMM source to C++
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2015-07-07
Teemu Murtola
Wrap uses of thread_mpi/mutex.h
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2015-07-06
Mark Abraham
First 5.1 release candidate
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2015-07-06
Berk Hess
Fix too small GPU pair count estimates
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2015-07-06
Berk Hess
Fix bug in GPU list balancing
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2015-07-05
Teemu Murtola
Improve gmx help -export Sphinx rebuild behavior
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2015-07-05
Berk Hess
Fix DD DLB state issue
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2015-07-05
Berk Hess
Fix bug in GPU list balancing
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2015-07-04
Teemu Murtola
Fix error wrapping in interactive selection input
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2015-07-04
Teemu Murtola
Tests for interactive selection input
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2015-07-04
Teemu Murtola
Fix copy-paste bug in gmx distance
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2015-07-04
Teemu Murtola
Refactor for testing interactive selection input
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2015-07-04
Teemu Murtola
Remove gmx::File (except for File::exists())
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2015-07-04
Teemu Murtola
Replace direct uses of gmx::File with streams
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2015-07-04
Teemu Murtola
Bump various version numbers
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2015-07-04
Teemu Murtola
Make some unit tests use mock file output
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2015-07-04
Berk Hess
Obey OpenMP thread count limit with tMPI
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2015-07-04
Berk Hess
Fix two PME DLB trigger issues
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2015-07-03
Mark Abraham
Fix ThreadMPI GPU assumptions
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2015-07-03
Berk Hess
Correct grompp pull warning message
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2015-07-02
Teemu Murtola
Convert gmxfio to C++
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2015-07-02
Szilard Pall
Fix OpenCL compilation errors.
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2015-07-02
Teemu Murtola
Remove status messages about Sphinx detection
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2015-07-02
Teemu Murtola
Clean up gmxfio includes
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2015-07-02
Teemu Murtola
Reorder code within gmxfio
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2015-07-02
Teemu Murtola
Further gmxfio cleanup related to xdr handling
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2015-07-02
Teemu Murtola
Minor include sorting changes
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2015-07-01
Teemu Murtola
Clean up unused code from gmxfio
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2015-06-30
Berk Hess
Fix inconsistent OpenMP automation
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2015-06-30
Mark Abraham
Document how to add and use NVML support
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2015-06-30
Mark Abraham
Avoid GPU data race also with OpenCL
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2015-06-30
Berk Hess
enabled 1 PP + 1 PME node
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2015-06-30
Berk Hess
Add checks for inefficient resource usage
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2015-06-30
Mark Abraham
Add support for flushing WDDM queue
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2015-06-29
Mark Abraham
Merge "Merge branch release-5-0"
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2015-06-29
Erik Lindahl
Fix OS X openCL builds
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2015-06-29
Erik Lindahl
Fix bugs in gmx dos
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2015-06-29
Erik Lindahl
Replace functions deprecated in OpenCL 1.2
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2015-06-29
Teemu Murtola
Only accept exact matches for selection keywords
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2015-06-29
Mark Abraham
Merge branch release-5-0
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2015-06-29
Mark Abraham
Documented build types in developer guide
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2015-06-29
Mark Abraham
Merge release-4-6 into release-5-0
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2015-06-29
anca
Implement OpenCL support
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2015-06-29
Mark Abraham
Add MSAN build type
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2015-06-29
Erik Lindahl
Fix bug removing multiple dihedrals in main rtp entries
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2015-06-29
Mark Abraham
Fix all use of nbnxn_simd.h
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2015-06-29
Teemu Murtola
Make some unit tests skip file system access
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2015-06-29
Erik Lindahl
Removed gmx protonate tool
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2015-06-29
Berk Hess
Improve DLB+PME tuning with GPUs
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2015-06-29
Szilard Pall
Fix CUDA inter-stream synchronization issue
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2015-06-28
Erik Lindahl
Fix double precision reference SIMD and gcc bug
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2015-06-28
Erik Lindahl
Fix one error and compiler warnings with Cuda & clang-3.6
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2015-06-28
Peter Kasson
Append _pullx_ and _pullf to pull files when -deffnm...
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2015-06-28
Roland Schulz
Remove unused cmake files
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2015-06-28
Roland Schulz
Don't use check_library for libm
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2015-06-27
Berk Hess
Improve pair search thread load balance
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2015-06-27
Berk Hess
Improved the intra-GPU load balancing
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2015-06-27
Szilard Pall
Fix CUDA architecture dependent issues
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2015-06-27
Erik Lindahl
Fix IBM VSX SIMD compiles with xlc
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2015-06-27
Berk Hess
Reduce the use of nbnxn_consts.h
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2015-06-27
Berk Hess
Corrected nstcalclr/nstfep/nst_repl_ex checks
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2015-06-27
Erik Lindahl
Fix single-prec. softcore issue in 4.6 branch
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2015-06-27
Erik Lindahl
Merge "Merge release-5-0 into master"
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2015-06-27
Teemu Murtola
Document tool changes in 5.1
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2015-06-27
Mark Abraham
Merge release-5-0 into master
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2015-06-26
Erik Lindahl
Fix compile issues on K computer
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2015-06-26
Berk Hess
Fixed Verlet buffer issue with 2-wide SIMD
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2015-06-26
Mark Abraham
Merge release-4-6 into release-5-0
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2015-06-26
Erik Lindahl
Fix buffer size issues in string database
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2015-06-26
Mark Abraham
Fix mdrun -confout sometimes affecting final .edr frame
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2015-06-26
Alexey Shvetsov
Fix recent compilation issue in pullcode
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2015-06-25
Erik Lindahl
Fix edr appending and exact continuation
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2015-06-25
Berk Hess
Intermolecular bonded interaction support added
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2015-06-25
Erik Lindahl
Fix binary exact continuation for trajectories
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2015-06-25
Szilard Pall
Add missing macro undef in CUDA NB kernel
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2015-06-25
Roland Schulz
Fix Wundef warnings
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2015-06-25
Teemu Murtola
Move documentation on tool changes from wiki
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2015-06-25
Mark Abraham
Merge "Merge release-5-0 into master"
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2015-06-25
Berk Hess
Reenabled SIMD kernels without cut-offs
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2015-06-25
Mark Abraham
Merge release-5-0 into master
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2015-06-24
Mark Abraham
Merge release-4-6 into release-5-0
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