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Move -nice handling to CommandLineModuleManager
[alexxy/gromacs.git]
/
src
/
2014-08-22
Teemu Murtola
Move -nice handling to CommandLineModuleManager
tree
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commitdiff
2014-08-21
Mark Abraham
Fix mis-use of fabs in LAPACK
tree
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commitdiff
2014-08-20
Teemu Murtola
Misc. gmxpre.h-related changes
tree
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commitdiff
2014-08-20
Teemu Murtola
Merge release-5-0 into master
tree
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commitdiff
2014-08-20
Erik Lindahl
Add _GNU_SOURCE=1 to find clone() with PGI
tree
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commitdiff
2014-08-20
Roland Schulz
Change error to warning for missing OMP_NUM_THREADS
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commitdiff
2014-08-20
Erik Lindahl
Fix matrix pointer dereference bug in update.c
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commitdiff
2014-08-20
Erik Lindahl
Enable SIMD register calling convention with gmx_simdcall
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commitdiff
2014-08-20
Erik Lindahl
Add cycle counters for 64-bit ARM
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commitdiff
2014-08-20
Teemu Murtola
Remove unused config.h defines
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commitdiff
2014-08-19
Teemu Murtola
Introduce gmxpre.h for truly global definitions
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commitdiff
2014-08-18
Roland Schulz
Fix nbnxn templates
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commitdiff
2014-08-17
Roland Schulz
Remove check that auto-generated files exist
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commitdiff
2014-08-17
Erik Lindahl
Fix Portland compiler warnings
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commitdiff
2014-08-17
Berk Hess
Halved the cost of the pull communication
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commitdiff
2014-08-17
Roland Schulz
Don't build tests until they are run
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commitdiff
2014-08-17
Roland Schulz
Use full path for legacyheaders
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commitdiff
2014-08-17
Mark Abraham
Remove mdrun -seppot
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commitdiff
2014-08-16
Mark Abraham
Fix gmx tune_pme with LJ-PME
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commitdiff
2014-08-16
Mark Abraham
Fix wallcycle counting with md-vv, sd and sd2
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commitdiff
2014-08-16
Teemu Murtola
Disable analysisdata generic tests if not compilable
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commitdiff
2014-08-16
Roland Schulz
Merge release-5-0 into master
tree
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commitdiff
2014-08-14
Berk Hess
Corrected SIMD math overflow documentation
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commitdiff
2014-08-14
Teemu Murtola
Fix CMake package config after recent version changes
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commitdiff
2014-08-13
Teemu Murtola
Use native CMake mechanism for find_package(GROMACS)
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commitdiff
2014-08-13
Teemu Murtola
Reorganize CMake version information management
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commitdiff
2014-08-11
Roland Schulz
Move some verlet headers to mdlib
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commitdiff
2014-08-10
Erik Lindahl
Improve Gromacs portability
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commitdiff
2014-08-10
Erik Lindahl
Replace __LP64__ with check for pointer size
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commitdiff
2014-08-10
Berk Hess
Added checks for TPI + Verlet scheme
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commitdiff
2014-08-10
Teemu Murtola
Improve initAfterFirstFrame() usability
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commitdiff
2014-08-10
Teemu Murtola
Make vec.h const-correct with both C and C++
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commitdiff
2014-08-10
Teemu Murtola
Basic exclusion support for analysis nbsearch
tree
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commitdiff
2014-08-10
Roland Schulz
Merge release-4-6 into release-5-0
tree
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commitdiff
2014-08-09
Teemu Murtola
Add Selection::hasOnlyAtoms()
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commitdiff
2014-08-07
Erik Lindahl
Fix portability issue with ArrayRef initializer overloading
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commitdiff
2014-08-07
Erik Lindahl
Changed names of test files to avoid Fujitsu compiler bug
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commitdiff
2014-08-07
Teemu Murtola
Basic support for 2D neighborhood search for analysis
tree
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commitdiff
2014-08-05
Berk Hess
Fix hang with LJ-PME and empty domains
tree
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commitdiff
2014-08-05
Roland Schulz
Workaround for ICC 14
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commitdiff
2014-08-04
Teemu Murtola
Verify MD5 sum for FFTW download
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commitdiff
2014-08-03
Teemu Murtola
Check frame atom count before evaluating selections
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commitdiff
2014-08-02
Berk Hess
Fixed PME bug with high OpenMP thread count
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commitdiff
2014-08-01
Erik Lindahl
Added tests for denormal and underflow for simd exp()
tree
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commitdiff
2014-07-31
Teemu Murtola
Merge "Merge release-5-0 into master"
tree
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commitdiff
2014-07-31
Roland Schulz
Replace most strdup with gmx_strdup
tree
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commitdiff
2014-07-31
Roland Schulz
Merge release-5-0 into master
tree
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commitdiff
2014-07-31
Berk Hess
Avoid division by 0 in nbnxn_search
tree
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commitdiff
2014-07-29
Mark Abraham
Converted md_support.c to C++
tree
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commitdiff
2014-07-28
Christian Wennberg
Fix overflow in LJ-PME nbnxn kernels
tree
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commitdiff
2014-07-28
Roland Schulz
Merge "Merge release-5-0 into master"
tree
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commitdiff
2014-07-28
Roland Schulz
Merge release-5-0 into master
tree
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commitdiff
2014-07-28
Roland Schulz
Add unit test for random/Threefry
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commitdiff
2014-07-28
Roland Schulz
Remove Random123/features
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commitdiff
2014-07-27
Roland Schulz
Remove individual cuda libraries
tree
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commitdiff
2014-07-27
Roland Schulz
Remove memtest
tree
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commitdiff
2014-07-27
Erik Lindahl
Fix selection of xtc groups not starting at index 0
tree
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commitdiff
2014-07-25
Roland Schulz
Workaround for ICC 14 bug
tree
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commitdiff
2014-07-24
Teemu Murtola
Do not actually install uniqueptr.h
tree
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commitdiff
2014-07-23
Roland Schulz
Add support for int64 in refdata
tree
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commitdiff
2014-07-22
Roland Schulz
Fix GMX_BUILD_OWN_FFTW for Cygwin
tree
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commitdiff
2014-07-21
Roland Schulz
Fix GMX_NONBONDED_NUM_THREADS!=GMX_PAIRSEARCH_NUM_THREADS
tree
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commitdiff
2014-07-16
Mark Abraham
Quiet gcc-4.8 warnings about unused results
tree
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commitdiff
2014-07-16
Teemu Murtola
Fix HTML help and man pages for commands with dashes
tree
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commitdiff
2014-07-12
Teemu Murtola
Make gmx_node_num/rank safer
tree
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commitdiff
2014-07-11
Teemu Murtola
Fix HTML links that contain file extensions
tree
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commitdiff
2014-07-09
Roland Schulz
Add comments for code with race condition
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commitdiff
2014-07-09
Teemu Murtola
Clean up gmx_header_config
tree
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commitdiff
2014-07-09
Teemu Murtola
Merge release-5-0 into master
tree
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commitdiff
2014-07-09
Roland Schulz
Fix Cygwin build
tree
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commitdiff
2014-07-09
Roland Schulz
Remove all unnecessary HAVE_CONFIG_H
tree
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commitdiff
2014-07-08
Erik Lindahl
Make IEEE754 check more robust
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commitdiff
2014-07-08
Teemu Murtola
Remove PCA_QUIET
tree
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commitdiff
2014-07-08
Teemu Murtola
Additional index group checks for selections
tree
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commitdiff
2014-07-08
Teemu Murtola
Clean up program name handling in oenv
tree
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commitdiff
2014-07-08
Teemu Murtola
Improve FileNameOption error handling
tree
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commitdiff
2014-07-08
Teemu Murtola
Move GMX_CXX11 to config.h
tree
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commitdiff
2014-07-08
Teemu Murtola
Remove gmx_unique_ptr from options public headers
tree
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commitdiff
2014-07-08
Teemu Murtola
Make selections ignore \r in input
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commitdiff
2014-07-08
Teemu Murtola
Remove selection help from SelectionCollection
tree
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commitdiff
2014-07-08
Teemu Murtola
Change some gmx_unique_ptr to shared_ptr in public...
tree
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commitdiff
2014-07-08
Mark Abraham
Remove bOK from MD loop
tree
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commitdiff
2014-07-08
Teemu Murtola
Move -debug to cmdlinemodulemanager.cpp
tree
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commitdiff
2014-07-05
Teemu Murtola
Merge release-5-0 into master
tree
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commitdiff
2014-07-05
Magnus Lundborg
Fix bug causing reading next frame not to stop.
tree
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commitdiff
2014-07-05
Magnus Lundborg
Fix tng_num_frame_sets_get() with no frame sets.
tree
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commitdiff
2014-07-05
Teemu Murtola
Reinstantiate unsorted index group check
tree
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commitdiff
2014-07-05
David van der Spoel
Fixed inconsistency in blocka handling.
tree
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commitdiff
2014-07-01
Roland Schulz
Add support for int64 in refdata
tree
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commitdiff
2014-07-01
Teemu Murtola
Adjust include directory order for some corner cases
tree
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commitdiff
2014-07-01
Mark Abraham
Fix GMock to work on MSVC
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commitdiff
2014-06-30
Teemu Murtola
Merge release-5-0 into master
tree
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commitdiff
2014-06-29
Berk Hess
Take LJ-PME into account for table spacing
tree
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commitdiff
2014-06-29
Erik Lindahl
Fixed free energy with LJ-PME
tree
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commitdiff
2014-06-29
Mark Abraham
Merge "Merge release-4-6 into release-5-0" into release-5-0
tree
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commitdiff
2014-06-29
Teemu Murtola
Remove some hardcoded selection string buffers
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commitdiff
2014-06-29
Roland Schulz
Merge release-4-6 into release-5-0
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commitdiff
2014-06-29
Erik Lindahl
Enable rtp angle/dihedral entries not connected by...
tree
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commitdiff
2014-06-29
Michael Shirts
Allow printing potential energies to dhdl.xvg file
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commitdiff
2014-06-29
David van der Spoel
Fixes #1532, SEGV in g_current.
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commitdiff
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