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Fixed bug with LJ pot-switch in 4xN kernels
2014-02-24
Berk Hess
Fixed bug with LJ pot-switch in 4xN kernels
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2014-02-24
Mark Abraham
Suppress icc warning for Boost 1.55 use of #pragma...
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2014-02-23
Rossen Apostolov
Removed deprecated Encad FF.
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2014-02-21
Roland Schulz
Fix load_lj_pair_params2 for MIC
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2014-02-21
Roland Schulz
Updated Boost to latest 1.55.0
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2014-02-21
Roland Schulz
Merge "Merge release-4-6 into master"
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2014-02-20
Mark Abraham
Remove particle decomposition
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2014-02-20
Christoph Junghans
added gmx_is_{single,double}_precision
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2014-02-20
Roland Schulz
Fix aligned store to unaligned memory
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2014-02-20
Mark Abraham
avoid mdrun crash when rdtscp is not supported
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2014-02-20
Mark Abraham
Add integration tests for replica exchange
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2014-02-20
Roland Schulz
Fix Reference Build
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2014-02-20
Teemu Murtola
Add documentation for using Doxygen
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2014-02-19
Mark Abraham
Make some variable names less cryptic
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2014-02-18
Mark Abraham
Fix harmless bug with combination of group and twin...
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2014-02-17
Roland Schulz
Enable more warnings
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2014-02-16
Carsten Kutzner
Small enhancement of computational electrophysiology...
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2014-02-16
Teemu Murtola
Improve man page formatting slightly
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2014-02-16
Teemu Murtola
Fix default enum values in help output
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2014-02-13
Magnus Lundborg
Removed option to use OpenMP with the TNG library.
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2014-02-12
Mark Abraham
Re-fix compiler warnings with scanner.cpp
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2014-02-11
Mark Abraham
Split genbox into 'solvate' and 'insert-molecules'
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2014-02-11
David van der Spoel
Fixed another vmdio issue.
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2014-02-11
Erik Lindahl
First part of commit for redesigned SIMD module - namechanges.
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2014-02-11
Magnus Lundborg
Added information about how to cite the TNG paper.
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2014-02-09
Mark Abraham
Move orientation restraints checks inside init function
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2014-02-09
Teemu Murtola
Refactor new help formatting implementation
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2014-02-08
Mark Abraham
Clean up .log file dump of inputrec
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2014-02-08
Mark Abraham
Issue fatal errors rather than use broken shell code
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2014-02-08
Teemu Murtola
Fix & update docs for GMX_TEST_OPTIONS
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2014-02-07
Mark Abraham
Initialize inputrec better in genbox
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2014-02-06
Teemu Murtola
Fix build of share/template when installed
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2014-02-06
Michael Shirts
EE dhdl header should not specify one lambda
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2014-02-06
Mark Abraham
Remove antiquated and unused gmxpar.tex documentation
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2014-02-06
Roland Schulz
Use random seeds by default
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2014-02-05
Mark Abraham
Update description of genrestr
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2014-02-04
Roland Schulz
Fix and simplify rpath
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2014-02-03
Mark Abraham
Clean up genbox and associated code
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2014-02-03
Teemu Murtola
Merge "Merge release-4-6 into master"
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2014-02-03
Teemu Murtola
Optimize Doxygen build
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2014-02-03
Mark Abraham
Improved wallcycle reporting
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2014-02-02
Teemu Murtola
Fix segfault in 'gmx -h'
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2014-02-02
Teemu Murtola
Get rid of src/programs/gmx/
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2014-02-02
Teemu Murtola
Simplify Options::setDescription() usage
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2014-02-01
Teemu Murtola
Fix some issues reported by 'make depcheck doccheck'
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2014-01-31
Teemu Murtola
Overview docs for unit testing
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2014-01-30
Roland Schulz
Add cmake option for Reference kernel
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2014-01-30
Mark Abraham
Minor improvements to ewald_LRcorrection
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2014-01-30
Berk Hess
Made reference SIMD work again
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2014-01-30
Teemu Murtola
Fix shell completions of ffMULT options
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2014-01-30
Teemu Murtola
Refactor ProgramInfo use
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2014-01-30
Rossen Apostolov
Removed ions.itp from GMX/share/top directory.
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2014-01-30
Teemu Murtola
Move command listing to 'gmx help commands'
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2014-01-30
Roland Schulz
Allocate memory for MD5 on heap
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2014-01-29
Mark Abraham
Improved dependencies on maths includes
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2014-01-29
Teemu Murtola
Fixes to filename shell completions
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2014-01-29
Roland Schulz
Uncrustify all files
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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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