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Sort all includes in src/gromacs
2014-09-11
Teemu Murtola
Sort all includes in src/gromacs
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2014-09-11
Teemu Murtola
Use absolute include paths in nbnxn kernels
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2014-09-11
Teemu Murtola
Manually sort some includes in src/gromacs
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2014-09-08
Erik Lindahl
Add 64-bit AArch64 asimd SIMD support
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2014-09-08
Erik Lindahl
Add 32-bit ARM Neon SIMD support
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2014-09-05
Mark Abraham
Version bumps after new release
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2014-09-05
Mark Abraham
Version 5.0.1
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2014-09-04
Mark Abraham
Created bonded module
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2014-09-01
Mark Abraham
Merge branch release-4-6 into release-5-0
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2014-08-29
Mark Abraham
Version bump after 4.6.7
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2014-08-23
Teemu Murtola
Backport of 'Remove unused figures from share/html/'
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2014-08-17
Mark Abraham
Remove mdrun -seppot
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2014-07-07
Mark Abraham
Version bump after 4.6.6 release
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2014-06-29
Mark Abraham
Version bump for 5.0
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2014-06-29
Mark Abraham
Add forgotten licenses to COPYING
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2014-06-28
Mark Abraham
Merge branch 'release-4-6' into release-5-0
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2014-06-26
Roland Schulz
Merge release-4-6 into release-5-0
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2014-06-24
Berk Hess
Fixed the sign of mass perturbed contribution
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2014-06-17
Erik Lindahl
Disabled replica exchange when T not in order
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2014-06-05
Berk Hess
Fixed shift and switch modifiers, particularly for...
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2014-06-02
Mark Abraham
Converted md.c to C++
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2014-06-02
Erik Lindahl
Added grompp checks for zero atom masses in state B
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2014-06-01
Erik Lindahl
Two quotes contributed by Vedran Miletic
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2014-05-27
Roland Schulz
Merge release-4-6 into release-5-0
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2014-05-20
Mark Abraham
Fix copyright years for new code
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2014-05-15
David van der Spoel
Added cmake profiling support
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2014-05-13
Mark Abraham
Prohibit AVX_256 with buggy gcc 4.6.1
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2014-04-29
Mark Abraham
Merge branch release-4-6 into release-5-0
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2014-04-10
Mark Abraham
Merge branch 'release-4-6' into release-5-0
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2014-04-10
Teemu Murtola
Move part of types/simple.h to utility/
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2014-04-07
Mark Abraham
Version bump for 5.0-rc1
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2014-03-31
Teemu Murtola
Remove #include <...> for local files in gmx-view
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2014-03-26
Mark Abraham
Fix use of inline in IMD
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2014-03-23
Mark Abraham
Merge branch release-4-6
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2014-03-18
Mark Abraham
Revert "Added new amber99sb-ildn-bsc0 force field."
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2014-03-17
Mark Abraham
House-keeping for MTTK
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2014-03-17
Mark Abraham
Merge branch release-4-6
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2014-03-11
Rossen Apostolov
Removed .itp files from top level directory.
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2014-03-06
Mark Abraham
Fix formatting in install guide
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2014-03-06
Mark Abraham
Fix CMake syntax error
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2014-03-03
Mark Abraham
Fix calling SIMD group kernels
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2014-02-26
Roland Schulz
Use reduce in pme
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2014-02-26
Erik Lindahl
Redesigned SIMD module and unit tests.
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2014-02-24
Berk Hess
Implemented LJ-PME nbnxn kernels
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2014-02-21
Szilard Pall
portability aspects in install guide + minor tweaks
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2014-02-19
Berk Hess
Implemented nbnxn LJ switch functions
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2014-02-18
Mark Abraham
Fix outstanding references to "CPU acceleration"
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2014-02-18
Mark Abraham
Extend TestFileManager
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2014-02-16
Mark Abraham
Fix test reference data accidentally broken
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2014-02-11
Mark Abraham
Update stuff for old BlueGene
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2014-02-09
Teemu Murtola
Make 'gmx -h' invariant wrt. provided options
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2014-02-09
Teemu Murtola
Remove old help formatting code
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2014-02-09
Teemu Murtola
Make FileNameOption behave more like old filenm parser
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2014-02-09
Teemu Murtola
Implement synopsis for help output
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2014-02-04
Mark Abraham
Use feature to explain that tpbconv has moved
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2014-02-01
Erik Lindahl
Added AVX2 detection to cmake and created CPU acceleration...
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2014-01-29
Mark Abraham
Keep clang Address Sanitizer happy
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2014-01-28
Mark Abraham
Merge branch 'release-4-6'
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2014-01-28
Mark Abraham
Remove unused fplog
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2014-01-27
Mark Abraham
Don't number a list manually
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2014-01-21
Mark Abraham
Remove hidden option to gmx dump
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2014-01-20
Mark Abraham
Remove various outdated things from the repo
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2014-01-20
Mark Abraham
Rename 'gmx tpbconv' to 'gmx convert-tpr'
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2014-01-20
Magnus Lundborg
Add TNG writing and reading support
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2014-01-09
Roland Schulz
Remove remaining usage of SIZEOF*
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2014-01-08
Mark Abraham
Create math module
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2013-12-05
Mark Abraham
Version bump after 5.0-beta1 release
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2013-12-05
Mark Abraham
Fix administrivia
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2013-12-02
Mark Abraham
Version bump after 4.6.5 release
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2013-12-02
Berk Hess
Made cutoff-scheme=Verlet the default
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2013-12-02
Berk Hess
Renamed verlet-buffer-drift to verlet-buffer-tolerance
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2013-12-02
Mark Abraham
Version bumps before release
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2013-12-02
Mark Abraham
Merge branch 'release-4-6'
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2013-11-28
Teemu Murtola
Fix some #include problems.
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2013-11-27
Mark Abraham
Fix strange character in manual
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2013-11-26
Berk Hess
Fixed return value of gmx_mtop_bondeds_free_energy
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2013-11-19
Mark Abraham
Fix incorrect variable name in documentation
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2013-11-15
Mark Abraham
Merge branch release-4-6
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2013-11-13
Mark Abraham
Bump version after 4.6.4 release
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2013-11-08
Mark Abraham
Fix malformed CMake
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2013-10-26
Roland Schulz
Fix NBNxN SIMD reference kernels
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2013-10-26
Mark Abraham
Encapsulate gmx_wallclock_accounting_t into new timing...
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2013-10-23
Mark Abraham
Merge branch release-4-6 into master
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2013-10-20
Mark Abraham
Remove html target from and excessive PDFs for manual
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2013-10-14
Szilard Pall
use CUDA texture objects when supported
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2013-10-08
Mark Abraham
Remove some unused variables from MD loop
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2013-10-06
Mark Abraham
Fixed triggering of CPU acceleration-scheme detection
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2013-10-04
Teemu Murtola
Clean up CTest usage.
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2013-10-03
Christoph Junghans
Fix parallel build for GMX_BUILD_OWN_FFTW
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2013-09-26
Mark Abraham
Merge branch release-4-6
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2013-09-26
Mark Abraham
Remove General Coupling Theory stuff
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2013-09-20
Mark Abraham
Merge branch 'release-4-6'
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2013-08-15
Mark Abraham
Productive afternoon of meetings... more quotes!
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2013-08-09
Mark Abraham
Reordered FFTW fatal error; avoids using unset variables
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2013-07-26
Mark Abraham
Merge branch release-4-6 into master
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2013-07-24
Mark Abraham
Merge branch release-4-6 into master
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2013-06-27
Roland Schulz
Merge branch 'release-4-6' into master
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2013-06-16
Jeff Hammond
Define both C and C++ compilers in BGQ toolchains;...
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2013-06-16
Jeff Hammond
Use more obvious name of BGQ compiler MPI wrappers
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2013-06-16
Jeff Hammond
fix CMake bug related to TestQPX.c location
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