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This patch moves the nrama.[ch] to the gmxana dir.
[alexxy/gromacs.git]
/
src
/
2014-01-15
David van der Spoel
This patch moves the nrama.[ch] to the gmxana dir.
tree
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commitdiff
2014-01-15
Teemu Murtola
Reorganize shared unit test code
tree
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commitdiff
2014-01-14
Teemu Murtola
Don't install links.dat
tree
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commitdiff
2014-01-14
Teemu Murtola
Split CommandLineHelpModule into a separate file
tree
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commitdiff
2014-01-14
Teemu Murtola
Fix line wrapping for long options
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commitdiff
2014-01-14
Mark Abraham
Remove useless trjcat -prec option
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commitdiff
2014-01-13
Carsten Kutzner
Move pull code to separate subdirectory
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commitdiff
2014-01-13
Teemu Murtola
Move writeps.* into fileio/
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commitdiff
2014-01-13
Teemu Murtola
Move gmxcomplex.h to gromacs/math/
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commitdiff
2014-01-13
Mark Abraham
Fix mdrun integration tests
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commitdiff
2014-01-13
David van der Spoel
Cleaned up list of GROMACS authors
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commitdiff
2014-01-11
Carsten Kutzner
Move essential dynamics / flooding code to separate...
tree
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commitdiff
2014-01-10
Carsten Kutzner
Read essential dynamics data from checkpoint at correct...
tree
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commitdiff
2014-01-09
Jochen Hub
Fixed non-working flat-bottom posres code.
tree
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commitdiff
2014-01-09
Roland Schulz
Merge release-4-6 into master
tree
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commitdiff
2014-01-09
Roland Schulz
Add SIMD support for Intel MIC
tree
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commitdiff
2014-01-09
Roland Schulz
Remove reimplimentation of two functions
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commitdiff
2014-01-09
Roland Schulz
Remove remaining usage of SIZEOF*
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commitdiff
2014-01-09
Roland Schulz
Remove some usage of SIZEOF*
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commitdiff
2014-01-09
Teemu Murtola
Add messages for skipped tests in make check
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commitdiff
2014-01-08
Mark Abraham
Remove unreachable fatal error
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commitdiff
2014-01-08
Mark Abraham
Remove unused debug code
tree
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commitdiff
2014-01-08
Mark Abraham
Add helpful note about changed default behaviour
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commitdiff
2014-01-08
Teemu Murtola
Move gmx_sort.* to src/gromacs/utility/
tree
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commitdiff
2014-01-08
Peter Kasson
Checkpointing fix for Native Client
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commitdiff
2014-01-08
Mark Abraham
Create math module
tree
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commitdiff
2014-01-07
Teemu Murtola
Move gstat.h to gmxana/
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commitdiff
2014-01-07
Teemu Murtola
Improve include dependency script
tree
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commitdiff
2014-01-05
Teemu Murtola
Support for default values for SelectionOption
tree
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commitdiff
2014-01-04
Teemu Murtola
Fix #include style issues
tree
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commitdiff
2014-01-04
Teemu Murtola
Don't print quotes on gmx_fatal()
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commitdiff
2014-01-01
Teemu Murtola
Add copyright year 2013 to files modified this year
tree
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commitdiff
2014-01-01
Teemu Murtola
Include CUDA and latex files in copyright check
tree
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commitdiff
2014-01-01
Teemu Murtola
Suppress remaining errors from copyright script
tree
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commitdiff
2014-01-01
Teemu Murtola
Fix remaining copyright headers
tree
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commitdiff
2014-01-01
Teemu Murtola
More copyright header updates
tree
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commitdiff
2014-01-01
Teemu Murtola
Remove obsolete large file support info
tree
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commitdiff
2014-01-01
Roland Schulz
Merge release-4-6 into master
tree
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commitdiff
2013-12-30
Teemu Murtola
Initialize default index groups for C++ tools
tree
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commitdiff
2013-12-29
Peter Kasson
Patch for Native Client builds.
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commitdiff
2013-12-29
Teemu Murtola
Minor vec.h cleanup
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commitdiff
2013-12-29
Christoph Junghans
cmake: make GMX_BUILD_OWN_FFTW work without fortran...
tree
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commitdiff
2013-12-29
Teemu Murtola
Reset SOVERSION for libgromacs
tree
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commitdiff
2013-12-28
Teemu Murtola
Change use of compiler flags with GPU + C++11
tree
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commitdiff
2013-12-26
Carsten Kutzner
Pass on default value of radstep in make_edi
tree
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commitdiff
2013-12-25
Carsten Kutzner
Essential dynamics: move bNeedDoEdsam evaluation to...
tree
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commitdiff
2013-12-24
Teemu Murtola
Move shell completion things into a separate file
tree
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commitdiff
2013-12-24
Teemu Murtola
Get rid of set_default_file_name()
tree
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commitdiff
2013-12-24
Roland Schulz
Rename remaining large_int to int64
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commitdiff
2013-12-23
Carsten Kutzner
Fixed essential dynamics (ED) continuation from .cpt...
tree
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commitdiff
2013-12-23
Roland Schulz
Replace gmx_large_int_t with gmx_int64_t
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commitdiff
2013-12-21
Teemu Murtola
Move parse_common_args() into commandline/pargs.*
tree
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commitdiff
2013-12-21
Teemu Murtola
Move pargs.cpp into src/gromacs/commandline/
tree
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commitdiff
2013-12-20
Teemu Murtola
Move Program() and ShortProgram() into copyrite.h
tree
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commitdiff
2013-12-20
Teemu Murtola
Clean up trajectory time control
tree
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commitdiff
2013-12-20
Christoph Junghans
re-add Carsten & me to the copyrite
tree
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commitdiff
2013-12-19
Mark Abraham
Fix non-critical typo in #ifdef GMX_OMPEN_MP
tree
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commitdiff
2013-12-18
Teemu Murtola
Clean up old command line parsing
tree
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commitdiff
2013-12-17
Erik Lindahl
Added a bunch of quotes from the 2013 Nobel lectures
tree
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commitdiff
2013-12-08
Roland Schulz
Avoid build error if CFLAGS contain quotes
tree
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commitdiff
2013-12-08
Teemu Murtola
Don't create symlinks in the build tree
tree
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commitdiff
2013-12-05
Mark Abraham
Fix administrivia
tree
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commitdiff
2013-12-04
Teemu Murtola
Fix test build with GMX_BUILD_MDRUN_ONLY
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commitdiff
2013-12-03
Berk Hess
Removed restriction of one reference pull group
tree
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commitdiff
2013-12-02
Szilard Pall
remove legacy CUDA non-bonded kernels
tree
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commitdiff
2013-12-02
Berk Hess
Made cutoff-scheme=Verlet the default
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commitdiff
2013-12-02
Berk Hess
Renamed verlet-buffer-drift to verlet-buffer-tolerance
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commitdiff
2013-12-02
Roland Schulz
Merge "Merge branch 'release-4-6'"
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commitdiff
2013-12-02
Christian Wennberg
Calculating LJ-interactions using Particle mesh Ewald
tree
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commitdiff
2013-12-02
Mark Abraham
Merge branch 'release-4-6'
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commitdiff
2013-12-02
Teemu Murtola
Fix [CHEVRON]/[chevron] for HTML output
tree
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commitdiff
2013-12-02
Roland Schulz
Replace SUM_SIMD with gmx_sum_simd
tree
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commitdiff
2013-12-01
Teemu Murtola
Remove GMX_DOUBLE from config.h
tree
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commitdiff
2013-12-01
Teemu Murtola
Don't install headers depending on GMX_INTERNAL_XDR
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commitdiff
2013-12-01
Mark Abraham
Fix scope and naming of some variables
tree
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commitdiff
2013-12-01
Mark Abraham
Turn on -Wunused-parameter where applicable
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commitdiff
2013-12-01
Berk Hess
Fixed zero hardware thread count
tree
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commitdiff
2013-12-01
Teemu Murtola
Adjust more copyright headers
tree
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commitdiff
2013-11-30
Alexey Shvetsov
Fix -Wstrict-overflow in domdec.c
tree
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commitdiff
2013-11-30
Mark Abraham
Add machinery for integration tests
tree
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commitdiff
2013-11-29
Berk Hess
Created SIMD module
tree
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commitdiff
2013-11-29
Teemu Murtola
Remove unused config.h defines
tree
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commitdiff
2013-11-29
Teemu Murtola
Make help texts refer to gmx-something
tree
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commitdiff
2013-11-28
Teemu Murtola
Move gmx_omp.* into src/gromacs/utility/
tree
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commitdiff
2013-11-28
Rossen Apostolov
Updated to gmock-1.7.0
tree
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commitdiff
2013-11-28
Teemu Murtola
Generate gromacs.7 from the wrapper binary
tree
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commitdiff
2013-11-28
Teemu Murtola
Fix some #include problems.
tree
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commitdiff
2013-11-28
Teemu Murtola
Uniform headers in HTML pages
tree
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commitdiff
2013-11-27
Teemu Murtola
Remove unused gmx_membed.c
tree
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commitdiff
2013-11-26
Berk Hess
Fixed return value of gmx_mtop_bondeds_free_energy
tree
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commitdiff
2013-11-26
Teemu Murtola
Remove #ifdef GMX_THREAD_MPI for basic thread safety.
tree
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commitdiff
2013-11-26
Mark Abraham
Moved gromos87 writing code into fileio module
tree
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commitdiff
2013-11-20
Teemu Murtola
Update copyright headers in kernels.
tree
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commitdiff
2013-11-20
Teemu Murtola
Update copyright headers in generated kernels.
tree
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commitdiff
2013-11-20
Teemu Murtola
Script to automatically update copyright
tree
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commitdiff
2013-11-19
Teemu Murtola
Add some missing copyright headers.
tree
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commitdiff
2013-11-19
Szilárd Páll
Fix DD load balancing bug with GPU sharing
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commitdiff
2013-11-19
Teemu Murtola
Add back mechanism for cross-tool hyperlinks.
tree
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commitdiff
2013-11-18
Mark Abraham
Bump CMake requirement to 2.8.8
tree
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commitdiff
2013-11-17
Teemu Murtola
Reformat existing LGPL copyright notices.
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commitdiff
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