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12 new quotes
[alexxy/gromacs.git]
/
src
/
2013-11-01
Mark Abraham
Added gmx_omp_nthreads_set for use in testing
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commitdiff
2013-10-31
Teemu Murtola
Move more timing routines into timing/.
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commitdiff
2013-10-30
Mark Abraham
Silence warnings about scanner.cpp
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commitdiff
2013-10-30
Alexey Shvetsov
gromacs cpp: clean up -Wunused-parameter warnings
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commitdiff
2013-10-30
Alexey Shvetsov
nbnxn_kernels: Clean up -Wunused-parameter warnings
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commitdiff
2013-10-30
Teemu Murtola
Markup substitution through HelpWriterContext.
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commitdiff
2013-10-30
Mark Abraham
Merge "Merge release-4-6 into master"
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commitdiff
2013-10-30
Roland Schulz
Fix build with GMX_CYCLE_SUBCOUNTERS
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commitdiff
2013-10-30
Roland Schulz
Merge release-4-6 into master
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commitdiff
2013-10-29
Alexey Shvetsov
mdlib: Clean up -Wunused-parameter warnings
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commitdiff
2013-10-29
Berk Hess
corrected volume with serial NPT replica exchange
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commitdiff
2013-10-29
Mark Abraham
Renamed and removed last references to GMX_CRAY_XT3
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commitdiff
2013-10-29
Magnus Lundborg
Fixed memory leak in gmxdump.
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commitdiff
2013-10-28
Berk Hess
improved the nbnxn buffer size estimate with GPUs
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commitdiff
2013-10-28
Teemu Murtola
Overview Doxygen pages for analysis framework.
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commitdiff
2013-10-28
Teemu Murtola
Some overview content for Doxygen documentation.
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commitdiff
2013-10-28
Teemu Murtola
Misc. Doxygen updates for src/gromacs/utility/.
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commitdiff
2013-10-28
Mark Abraham
Create fileio module
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commitdiff
2013-10-28
Teemu Murtola
Simplify code structure for C++ analysis tools
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commitdiff
2013-10-26
Roland Schulz
Fix NBNxN SIMD reference kernels
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commitdiff
2013-10-26
Mark Abraham
Encapsulate gmx_wallclock_accounting_t into new timing...
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commitdiff
2013-10-26
Mark Abraham
Cleaned up run time measurement
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commitdiff
2013-10-26
Mark Abraham
Added documentation for gmx_runtime_t struct
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commitdiff
2013-10-23
Mark Abraham
Merge branch release-4-6 into master
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commitdiff
2013-10-22
Berk Hess
fixed recent bug with CUDA texture objects
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commitdiff
2013-10-22
Berk Hess
fixed OpenMP threads being pinned to the same cores
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commitdiff
2013-10-18
Teemu Murtola
Upgrade layout file to support Doxygen >=1.8.
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commitdiff
2013-10-18
Mark Abraham
BlueGene/Q Verlet cut-off scheme kernels
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commitdiff
2013-10-17
Mark Abraham
Move mdrun trajectory writing into wrapper function
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commitdiff
2013-10-17
Mark Abraham
Fix typo in g_membed documentation
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commitdiff
2013-10-17
Roland Schulz
Fix SIMD C reference nbnxn kernels
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commitdiff
2013-10-17
Michael Shirts
Restarting from checkpoint no longer reinitializes...
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commitdiff
2013-10-16
Teemu Murtola
Remove latex help export.
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commitdiff
2013-10-16
Berk Hess
avoid division by zero in SIMD angles and dihedrals
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commitdiff
2013-10-16
Michael Shirts
turning off expanded ensemble for all integrators but...
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commitdiff
2013-10-16
Berk Hess
fixed a half bin misalignment in gmx_vanhove -or
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commitdiff
2013-10-16
Michael Shirts
Fixes a problem with pair type 2 interactions with...
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commitdiff
2013-10-15
Szilard Pall
make use of CUDA stream priorities
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commitdiff
2013-10-15
Teemu Murtola
Fix/improve installation directory logic.
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commitdiff
2013-10-14
Szilard Pall
use CUDA texture objects when supported
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commitdiff
2013-10-11
Berk Hess
introduced general 4-wide SIMD support
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commitdiff
2013-10-10
Mark Abraham
Introduced MPI initialization counter
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commitdiff
2013-10-10
Berk Hess
fixed nbnxn 4x8 pair search without AVX
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commitdiff
2013-10-08
Mark Abraham
Remove some unused variables from MD loop
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commitdiff
2013-10-07
Teemu Murtola
Improve markup substitution in HelpWriterContext.
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commitdiff
2013-10-07
Teemu Murtola
HTML export from the wrapper binary.
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commitdiff
2013-10-04
Mark Abraham
Further consolidation of commrec initialization
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commitdiff
2013-10-04
Mark Abraham
More consolidation of MPI initialization
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commitdiff
2013-10-03
Teemu Murtola
Remove unused shift_util.c.
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commitdiff
2013-10-03
Teemu Murtola
Improve diagnostics with empty selections.
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commitdiff
2013-10-03
Teemu Murtola
Man page export from the wrapper binary.
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commitdiff
2013-10-03
Christoph Junghans
Fix parallel build for GMX_BUILD_OWN_FFTW
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commitdiff
2013-10-03
Teemu Murtola
Use filenm.c data for FileNameOption.
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commitdiff
2013-10-03
Teemu Murtola
Fix warnings with Doxygen 1.8.5.
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commitdiff
2013-10-02
Berk Hess
Fixes reaction field free energy bug
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commitdiff
2013-10-01
Mark Abraham
Broke some useless dependencies
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commitdiff
2013-10-01
Mark Abraham
Split MPI initialization from t_commrec construction
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commitdiff
2013-10-01
Mark Abraham
Silence clang warnings
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commitdiff
2013-09-30
David van der Spoel
Change name of gmxdump to dump and gmxcheck to check
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commitdiff
2013-09-29
Szilard Pall
allow compilation to optimize for CUDA compute cap...
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commitdiff
2013-09-29
Teemu Murtola
Remove obsolete efHAT and src/ngmx/dlgtest.
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commitdiff
2013-09-29
David van der Spoel
Fixes bug in processing virtual_sitesn in grompp.
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commitdiff
2013-09-29
Jarvist Moore Frost
Corrected info text. -center --> -boxcenter
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commitdiff
2013-09-28
Teemu Murtola
Use git version info in Doxygen.
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commitdiff
2013-09-27
Manuel Luitz
Fixed limitations in g_cluster
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commitdiff
2013-09-26
Michael Shirts
logic fix for free energies with mdrun -rerun
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commitdiff
2013-09-26
Christoph Junghans
Drop md5sum check for GMX_BUILD_OWN_FFTW
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commitdiff
2013-09-26
Mark Abraham
Un-duplicate gmx_gettime code
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commitdiff
2013-09-26
Teemu Murtola
Merge "Merge branch release-4-6"
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commitdiff
2013-09-26
Mark Abraham
Merge branch release-4-6
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commitdiff
2013-09-26
Alexey Shvetsov
g_tune_pme: Clean up -Wunused-parameter warnings
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commitdiff
2013-09-26
Alexey Shvetsov
programs: clean up -Wunused-parameter warnings
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commitdiff
2013-09-26
Mark Abraham
Remove mdrun -ionize feature
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commitdiff
2013-09-26
Mark Abraham
Remove General Coupling Theory stuff
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commitdiff
2013-09-26
Teemu Murtola
thread_mpi: Clean up -Wunused-parameter warnings.
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commitdiff
2013-09-25
Erik Lindahl
Fix bug in (long) neighborlist SIMD padding when adding...
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commitdiff
2013-09-24
Teemu Murtola
Remove src/contrib/prfn.c and related code.
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commitdiff
2013-09-23
Teemu Murtola
Merge "Merge branch 'release-4-6'"
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commitdiff
2013-09-23
Teemu Murtola
Remove obsolete tools.
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commitdiff
2013-09-21
Berk Hess
fixed multiple distance restraints with OpenMP
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commitdiff
2013-09-21
David van der Spoel
Moved ngmx to C++, renamed it to view.
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commitdiff
2013-09-20
Mark Abraham
Remove repeat sfree(state->nosehoover_xi)
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commitdiff
2013-09-20
Mark Abraham
Merge branch 'release-4-6'
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commitdiff
2013-09-20
Mark Abraham
Described another way g_tune_pme might reasonably fail
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commitdiff
2013-09-20
Mark Abraham
Fix total time measurement with separate PME nodes
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commitdiff
2013-09-20
Teemu Murtola
CMake cleanup.
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commitdiff
2013-09-20
Teemu Murtola
Merge branch 'release-4-6'
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commitdiff
2013-09-19
Mark Abraham
Fixed reading history_t from checkpoint
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commitdiff
2013-09-19
Mark Abraham
Fixed g_tune_pme assumption that MPI is available
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commitdiff
2013-09-19
Teemu Murtola
Uniform code path for writing out console help.
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commitdiff
2013-09-19
Teemu Murtola
Framework for help export from wrapper binary.
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commitdiff
2013-09-18
Berk Hess
made free energy PME kernel 40% faster
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commitdiff
2013-09-18
Mark Abraham
Remove forcefield-scan feature
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commitdiff
2013-09-16
Berk Hess
mdrun without OpenMP with thread-MPI now uses all cores
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commitdiff
2013-09-13
Berk Hess
corrected grompp constraint/DOF warning with vsites
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commitdiff
2013-09-13
Teemu Murtola
Add option to build a standalone mdrun binary only.
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commitdiff
2013-09-13
Teemu Murtola
Move mdrun into the wrapper binary.
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commitdiff
2013-09-13
Teemu Murtola
Make parse_common_args() not exit.
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commitdiff
2013-09-13
Teemu Murtola
Remove unused -man output formats.
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commitdiff
2013-09-09
Teemu Murtola
Make gmx_ana_pos_t a C++ class.
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