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Automated Verlet rlist for NVE simulations
2014-01-29
Berk Hess
Automated Verlet rlist for NVE simulations
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2014-01-29
Teemu Murtola
Merge "Merge branch 'release-4-6'"
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2014-01-28
David van der Spoel
Moved random number generator code to separate dir.
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2014-01-28
Carsten Kutzner
Allow for "computational electrophysiology" simulations...
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2014-01-28
Christoph Junghans
cmake: added FFTW_URL to allow easy offline build
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2014-01-28
Rossen Apostolov
Bump own fftw build to version 3.3.3
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2014-01-28
Mark Abraham
Remove "gmx trjconv -app"
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2014-01-28
Teemu Murtola
Shell completion export from the wrapper binary
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2014-01-28
Mark Abraham
Unify logic for timing counts
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2014-01-28
Szilárd Páll
clarified OpenMP-related things in mdrun help/man
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2014-01-28
Teemu Murtola
Extend version information output
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2014-01-27
Teemu Murtola
Simplify ProgramInfo
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2014-01-23
Mark Abraham
Break dependency of fileio on tools
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2014-01-22
Mark Abraham
Update libxml2 CMake detection
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2014-01-21
Rossen Apostolov
Fixed wrong message when building own FFTW.
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2014-01-21
Roland Schulz
Fix race conditions
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2014-01-21
Mark Abraham
Ensure we don't #define constants before system headers
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2014-01-21
Justin Lemkul
Added ASPP and GLUP to residuetypes.dat.
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2014-01-21
Teemu Murtola
Improve file name option help
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2014-01-20
Teemu Murtola
Rewrite help output from Options
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2014-01-20
Mark Abraham
Fix .gitignore of some files
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2014-01-19
Teemu Murtola
Fix installed headers
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2014-01-19
Teemu Murtola
Move md5.* to fileio/
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2014-01-19
Teemu Murtola
Move strdb.* to src/gromacs/fileio/
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2014-01-19
Mark Abraham
Move dump, check and tpbconv utilities
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2014-01-19
Roland Schulz
Fix that check_library_exist is rerun for FFTW
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2014-01-18
David van der Spoel
This patch moves the statistics library to its own...
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2014-01-17
Mark Abraham
Fix, simplify and test XTC writing
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2014-01-17
David van der Spoel
This patch moves preprocessing headers to gmxpreprocess
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2014-01-17
Roland Schulz
Define MPI_INT64_T if not defined by mpi
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2014-01-17
Mark Abraham
Clean up inputrec reading
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2014-01-16
Teemu Murtola
Fix build with GMX_BUILD_UNITTESTS=OFF
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2014-01-15
Teemu Murtola
Support for 64-bit int and real valued Options
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2014-01-15
Teemu Murtola
Remove unused PCA_KEEP_ARGS
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2014-01-15
Roland Schulz
Add nbnxn tree force reduction
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2014-01-15
Teemu Murtola
Simplify C array handling in C++ code
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2014-01-15
David van der Spoel
This patch moves the nrama.[ch] to the gmxana dir.
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2014-01-15
Teemu Murtola
Reorganize shared unit test code
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2014-01-14
Mark Abraham
Stop doing cppcheck on src/external
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2014-01-14
Teemu Murtola
Don't install links.dat
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2014-01-14
Teemu Murtola
Split CommandLineHelpModule into a separate file
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2014-01-14
Teemu Murtola
Fix line wrapping for long options
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2014-01-14
Mark Abraham
Remove useless trjcat -prec option
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2014-01-13
Carsten Kutzner
Move pull code to separate subdirectory
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2014-01-13
Teemu Murtola
Move writeps.* into fileio/
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2014-01-13
Teemu Murtola
Move gmxcomplex.h to gromacs/math/
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2014-01-13
Mark Abraham
Fix mdrun integration tests
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2014-01-13
Teemu Murtola
Fix installation of HTML manual
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2014-01-13
David van der Spoel
Cleaned up list of GROMACS authors
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2014-01-11
Carsten Kutzner
Move essential dynamics / flooding code to separate...
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2014-01-10
Carsten Kutzner
Read essential dynamics data from checkpoint at correct...
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2014-01-09
Jochen Hub
Fixed non-working flat-bottom posres code.
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2014-01-09
David van der Spoel
Fixed precision in thermal expansion coefficient calc.
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2014-01-09
Roland Schulz
Add SIMD support for Intel MIC
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2014-01-09
Roland Schulz
Remove reimplimentation of two functions
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2014-01-09
Roland Schulz
Remove some usage of SIZEOF*
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2014-01-09
Teemu Murtola
Add messages for skipped tests in make check
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2014-01-09
Teemu Murtola
Fix copyright check in admin/uncrustify.sh
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2014-01-08
Mark Abraham
Remove unreachable fatal error
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2014-01-08
Mark Abraham
Remove unused debug code
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2014-01-08
Mark Abraham
Add helpful note about changed default behaviour
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2014-01-08
Teemu Murtola
Move gmx_sort.* to src/gromacs/utility/
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2014-01-07
Teemu Murtola
Move gstat.h to gmxana/
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2014-01-07
Teemu Murtola
Improve include dependency script
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2014-01-05
Carsten Kutzner
Removed a few typos in three German quotes.
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2014-01-04
Teemu Murtola
Fix #include style issues
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2014-01-04
Teemu Murtola
Don't print quotes on gmx_fatal()
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2014-01-01
Teemu Murtola
Add copyright year 2013 to files modified this year
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2014-01-01
Teemu Murtola
Include CUDA and latex files in copyright check
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2014-01-01
Teemu Murtola
Suppress remaining errors from copyright script
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2014-01-01
Teemu Murtola
Fix remaining copyright headers
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2014-01-01
Teemu Murtola
More copyright header updates
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2014-01-01
Teemu Murtola
Remove obsolete large file support info
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2013-12-30
Teemu Murtola
Initialize default index groups for C++ tools
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2013-12-29
Teemu Murtola
Fix pkgconfig flags with internal Boost
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2013-12-29
Teemu Murtola
Reset SOVERSION for libgromacs
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2013-12-28
Teemu Murtola
Change use of compiler flags with GPU + C++11
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2013-12-28
Teemu Murtola
Move bin/lib suffix management into separate file.
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2013-12-26
Carsten Kutzner
Pass on default value of radstep in make_edi
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2013-12-25
Carsten Kutzner
Essential dynamics: move bNeedDoEdsam evaluation to...
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2013-12-24
Teemu Murtola
Move shell completion things into a separate file
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2013-12-23
Carsten Kutzner
Fixed essential dynamics (ED) continuation from .cpt...
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2013-12-21
Teemu Murtola
Move parse_common_args() into commandline/pargs.*
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2013-12-21
Teemu Murtola
Move pargs.cpp into src/gromacs/commandline/
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2013-12-21
David van der Spoel
More Nobel quotes and others
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2013-12-20
Teemu Murtola
Move Program() and ShortProgram() into copyrite.h
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2013-12-20
Teemu Murtola
Clean up trajectory time control
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2013-12-20
Christoph Junghans
re-add Carsten & me to the copyrite
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2013-12-19
Mark Abraham
Fix non-critical typo in #ifdef GMX_OMPEN_MP
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2013-12-18
Teemu Murtola
Clean up old command line parsing
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2013-12-17
Erik Lindahl
Added a bunch of quotes from the 2013 Nobel lectures
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2013-12-16
Erik Lindahl
Moved shared/static library detection to separate module
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2013-12-16
Erik Lindahl
Moved FFT library processing to separate module
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2013-12-16
Erik Lindahl
Moved compiler problem detection into separate module
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2013-12-08
Roland Schulz
Avoid build error if CFLAGS contain quotes
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2013-12-02
Szilard Pall
remove legacy CUDA non-bonded kernels
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2013-12-02
Roland Schulz
Merge "Merge branch 'release-4-6'"
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2013-12-02
Christian Wennberg
Calculating LJ-interactions using Particle mesh Ewald
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2013-12-02
Teemu Murtola
Remove remaining uses of programs.txt
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2013-12-02
Teemu Murtola
Uniform behavior for 'make man' and 'make html'
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