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Six new quotes from classic literature.
2014-03-06
David van der Spoel
Six new quotes from classic literature.
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2014-03-05
Roland Schulz
Remove dependency on TNG in trxio.h
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2014-03-05
Roland Schulz
Report MIC SIMD correctly
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2014-03-05
Mark Abraham
Merge "Merge release-4-6 into master"
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2014-03-05
Berk Hess
Buffer estimate now works with rvd-switch=0
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2014-03-05
Roland Schulz
Check zlib can actually be linked
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2014-03-05
Roland Schulz
Avoid segfault when comparing tpr
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2014-03-04
Mark Abraham
Add enum and docs for using tpx_version
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2014-03-02
Teemu Murtola
Fix incorrect grid cell size in g_sas -nopbc
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2014-03-01
Teemu Murtola
Move default library path search to program context
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2014-03-01
Mark Abraham
Add fatal error for Andersen+constraints+DD
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2014-03-01
Christoph Junghans
switch ld_seed from int to gmx_int64_t
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2014-03-01
Szilard Pall
Added CUDA LJ-PME nbnxn kernels
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2014-02-27
Teemu Murtola
Improve support for data sets in C++ tools
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2014-02-27
Szilard Pall
CUDA kernels for switched LJ
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2014-02-27
Teemu Murtola
Improve floating point comparisons in unit tests
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2014-02-26
Berk Hess
Free-energy now works with the Verlet scheme
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2014-02-26
Alexey Shvetsov
Fix -Wmaybe-uninitialized warnings in some files
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2014-02-26
Teemu Murtola
Misc. Doxygen build system improvements
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2014-02-26
Erik Lindahl
Added message to warn that group kernels are deprecated.
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2014-02-26
Michael Shirts
Updating and improving Andersen thermostat documentation
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2014-02-26
Roland Schulz
ICC aliasing optimization flags
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2014-02-26
Roland Schulz
Replace all mdrun rngs with cycle based rng
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2014-02-26
Mark Abraham
Add ThreadSanitizer build type
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2014-02-25
Berk Hess
Fixes seperate PME nodes without LJ-PME
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2014-02-24
Berk Hess
Fixed bug with LJ pot-switch in 4xN kernels
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2014-02-24
Mark Abraham
Permit warning-free use of Andersen thermostat
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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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