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Fix build for external boost 1.56.0
2014-09-07
Roland Schulz
Fix build for external boost 1.56.0
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2014-09-07
Roland Schulz
Simplify AVX integer load/store
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2014-09-05
Teemu Murtola
Another batch of added config.h
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2014-09-05
Teemu Murtola
Make doc-check fail the build on warnings
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2014-09-05
Teemu Murtola
Merge "Merge release-5-0 into master"
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2014-09-04
Roland Schulz
Slight simplifcation of 2xnn
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2014-09-04
Teemu Murtola
Make doc-check silent for in-source build
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2014-09-04
Teemu Murtola
Merge "Merge release-5-0 into master"
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2014-09-04
Erik Lindahl
K-computer specific modifications
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2014-09-04
Christoph Junghans
cmake: missing quote
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2014-09-03
Erik Lindahl
Fixed sc_power==48 crash in single precision
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2014-09-03
Mark Abraham
Fix mis-use of fabs in LAPACK
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2014-09-03
Mark Abraham
More hacking to get the template to detect and build
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2014-09-03
Roland Schulz
Fix that TNG tests were not run
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2014-09-03
Erik Lindahl
Fixed preprocessor error for AVX_128_FMA simd
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2014-09-02
Erik Lindahl
Fix formatting of fatal errors in g_bar
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2014-09-02
Roland Schulz
Fix PRINT_ALLOC_KB output
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2014-09-02
Magnus Lundborg
TNG Fix for GMX_DOUBLE builds and where ZLIB is not...
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2014-09-02
Magnus Lundborg
Fix data block length when uncompressing TNG data.
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2014-09-01
Magnus Lundborg
TNG: Handle large files on 32 bit systems.
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2014-09-01
Justin Lemkul
Updated x-axis label for g_wham.
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2014-09-01
Magnus Lundborg
When writing TNG include file closing in wallcycle.
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2014-09-01
Mark Abraham
Fix and document issues with template.cpp
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2014-09-01
Mark Abraham
Merge "Merge branch release-4-6 into release-5-0" into...
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2014-09-01
Mark Abraham
Fixes and updates to BlueGene/Q support
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2014-09-01
Mark Abraham
Merge "Merge branch release-4-6 into release-5-0" into...
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2014-08-31
Erik Lindahl
Added negative zero preprocessor constants
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2014-08-28
Berk Hess
Fixed two PME issues with MPI+OpenMP
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2014-08-24
Berk Hess
Initialize unused velocity constraint components
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2014-08-24
Teemu Murtola
Improve analysis nbsearch grid mapping
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2014-08-23
Mark Abraham
Unify documentation for webpage build
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2014-08-22
Mark Abraham
Fix zlib usage with TNG
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2014-08-21
Magnus Lundborg
Fixed TNG memory alignment problem and reset pointers.
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2014-08-21
Mark Abraham
Fix mis-use of fabs in LAPACK
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2014-08-20
Erik Lindahl
Add _GNU_SOURCE=1 to find clone() with PGI
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2014-08-20
Roland Schulz
Change error to warning for missing OMP_NUM_THREADS
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2014-08-20
Erik Lindahl
Fix matrix pointer dereference bug in update.c
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2014-08-20
Erik Lindahl
Enable SIMD register calling convention with gmx_simdcall
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2014-08-20
Erik Lindahl
Add cycle counters for 64-bit ARM
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2014-08-20
Erik Lindahl
Shorten plugin configuration message
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2014-08-17
Roland Schulz
Remove check that auto-generated files exist
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2014-08-17
Erik Lindahl
Fix Portland compiler warnings
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2014-08-17
Berk Hess
Halved the cost of the pull communication
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2014-08-17
Roland Schulz
Don't build tests until they are run
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2014-08-17
Roland Schulz
Use full path for legacyheaders
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2014-08-16
Mark Abraham
Fix gmx tune_pme with LJ-PME
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2014-08-16
Mark Abraham
Fix wallcycle counting with md-vv, sd and sd2
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2014-08-16
Teemu Murtola
Disable analysisdata generic tests if not compilable
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2014-08-14
Berk Hess
Corrected SIMD math overflow documentation
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2014-08-13
Teemu Murtola
Use native CMake mechanism for find_package(GROMACS)
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2014-08-13
Teemu Murtola
Reorganize CMake version information management
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2014-08-11
Roland Schulz
Move some verlet headers to mdlib
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2014-08-11
Mark Abraham
Add depressing quote
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2014-08-11
Stefan Fleischmann
Avoid stack overflow on Windows with CMake > 2.8.10.2
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2014-08-10
Erik Lindahl
Improve Gromacs portability
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2014-08-10
Erik Lindahl
Replace __LP64__ with check for pointer size
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2014-08-10
Berk Hess
Added checks for TPI + Verlet scheme
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2014-08-10
Roland Schulz
Check MD5sum for regressiontest
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2014-08-07
Erik Lindahl
Fix portability issue with ArrayRef initializer overloading
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2014-08-07
Erik Lindahl
Changed names of test files to avoid Fujitsu compiler bug
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2014-08-05
Berk Hess
Fix hang with LJ-PME and empty domains
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2014-08-05
Roland Schulz
Workaround for ICC 14
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2014-08-01
Erik Lindahl
Added tests for denormal and underflow for simd exp()
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2014-07-31
Teemu Murtola
Merge "Merge release-5-0 into master"
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2014-07-31
Roland Schulz
Replace most strdup with gmx_strdup
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2014-07-29
Mark Abraham
Converted md_support.c to C++
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2014-07-28
Roland Schulz
Merge "Merge release-5-0 into master"
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2014-07-28
Roland Schulz
Fix build of binary package
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2014-07-28
Roland Schulz
Remove Random123/features
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2014-07-27
Roland Schulz
Remove memtest
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2014-07-25
Roland Schulz
Workaround for ICC 14 bug
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2014-07-24
Roland Schulz
Fix Cygwin+Shared-Libs+FFTW
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2014-07-21
Roland Schulz
Fix GMX_NONBONDED_NUM_THREADS!=GMX_PAIRSEARCH_NUM_THREADS
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2014-07-16
Mark Abraham
Quiet gcc-4.8 warnings about unused results
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2014-07-16
Teemu Murtola
Fix HTML help and man pages for commands with dashes
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2014-07-13
Erik Lindahl
Avoid clang/32 optimization affecting IEEE endian detection
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2014-07-12
Teemu Murtola
Make gmx_node_num/rank safer
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2014-07-11
Teemu Murtola
Fix HTML links that contain file extensions
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2014-07-09
Mark Abraham
Quieten repeated cmake runs
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2014-07-09
Roland Schulz
Add comments for code with race condition
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2014-07-09
Roland Schulz
Fix Cygwin build
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2014-07-09
Roland Schulz
Remove all unnecessary HAVE_CONFIG_H
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2014-07-09
Teemu Murtola
Module dependency cycle checker for 'doc-check'
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2014-07-08
Erik Lindahl
Make IEEE754 check more robust
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2014-07-08
Teemu Murtola
Remove PCA_QUIET
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2014-07-08
Teemu Murtola
Additional index group checks for selections
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2014-07-08
Teemu Murtola
Clean up program name handling in oenv
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2014-07-08
Teemu Murtola
Improve FileNameOption error handling
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2014-07-08
Teemu Murtola
Make selections ignore \r in input
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2014-07-08
Teemu Murtola
Change some gmx_unique_ptr to shared_ptr in public...
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2014-07-08
Mark Abraham
Remove bOK from MD loop
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2014-07-08
Teemu Murtola
Move -debug to cmdlinemodulemanager.cpp
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2014-07-07
Mark Abraham
Fix tarball and install, particularly for INSTALL
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2014-07-05
Magnus Lundborg
Fix bug causing reading next frame not to stop.
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2014-07-05
Magnus Lundborg
Fix tng_num_frame_sets_get() with no frame sets.
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2014-07-05
Teemu Murtola
Reinstantiate unsorted index group check
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2014-07-05
David van der Spoel
Fixed inconsistency in blocka handling.
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2014-07-05
Roland Schulz
Add running tests to install-guide
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2014-07-05
Teemu Murtola
Update some installation-related docs
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2014-07-01
Mark Abraham
Fix GMock to work on MSVC
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