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2014-02-19	Berk Hess	Implemented nbnxn LJ switch functions	commit \| commitdiff \| tree
2014-02-18	Mark Abraham	Fix outstanding references to "CPU acceleration"	commit \| commitdiff \| tree
2014-02-18	Mark Abraham	Extend TestFileManager	commit \| commitdiff \| tree
2014-02-16	Mark Abraham	Fix test reference data accidentally broken	commit \| commitdiff \| tree
2014-02-11	Mark Abraham	Update stuff for old BlueGene	commit \| commitdiff \| tree
2014-02-09	Teemu Murtola	Make 'gmx -h' invariant wrt. provided options	commit \| commitdiff \| tree
2014-02-09	Teemu Murtola	Remove old help formatting code	commit \| commitdiff \| tree
2014-02-09	Teemu Murtola	Make FileNameOption behave more like old filenm parser	commit \| commitdiff \| tree
2014-02-09	Teemu Murtola	Implement synopsis for help output	commit \| commitdiff \| tree
2014-02-04	Mark Abraham	Use feature to explain that tpbconv has moved	commit \| commitdiff \| tree
2014-02-01	Erik Lindahl	Added AVX2 detection to cmake and created CPU acceleration...	commit \| commitdiff \| tree
2014-01-29	Mark Abraham	Keep clang Address Sanitizer happy	commit \| commitdiff \| tree
2014-01-28	Mark Abraham	Merge branch 'release-4-6'	commit \| commitdiff \| tree
2014-01-28	Mark Abraham	Remove unused fplog	commit \| commitdiff \| tree
2014-01-27	Mark Abraham	Don't number a list manually	commit \| commitdiff \| tree
2014-01-21	Mark Abraham	Remove hidden option to gmx dump	commit \| commitdiff \| tree
2014-01-20	Mark Abraham	Remove various outdated things from the repo	commit \| commitdiff \| tree
2014-01-20	Mark Abraham	Rename 'gmx tpbconv' to 'gmx convert-tpr'	commit \| commitdiff \| tree
2014-01-20	Magnus Lundborg	Add TNG writing and reading support	commit \| commitdiff \| tree
2014-01-09	Roland Schulz	Remove remaining usage of SIZEOF*	commit \| commitdiff \| tree
2014-01-08	Mark Abraham	Create math module	commit \| commitdiff \| tree
2013-12-05	Mark Abraham	Version bump after 5.0-beta1 release	commit \| commitdiff \| tree
2013-12-05	Mark Abraham	Fix administrivia	commit \| commitdiff \| tree
2013-12-02	Mark Abraham	Version bump after 4.6.5 release	commit \| commitdiff \| tree
2013-12-02	Berk Hess	Made cutoff-scheme=Verlet the default	commit \| commitdiff \| tree
2013-12-02	Berk Hess	Renamed verlet-buffer-drift to verlet-buffer-tolerance	commit \| commitdiff \| tree
2013-12-02	Mark Abraham	Version bumps before release	commit \| commitdiff \| tree
2013-12-02	Mark Abraham	Merge branch 'release-4-6'	commit \| commitdiff \| tree
2013-11-28	Teemu Murtola	Fix some #include problems.	commit \| commitdiff \| tree
2013-11-27	Mark Abraham	Fix strange character in manual	commit \| commitdiff \| tree
2013-11-26	Berk Hess	Fixed return value of gmx_mtop_bondeds_free_energy	commit \| commitdiff \| tree
2013-11-19	Mark Abraham	Fix incorrect variable name in documentation	commit \| commitdiff \| tree
2013-11-15	Mark Abraham	Merge branch release-4-6	commit \| commitdiff \| tree
2013-11-13	Mark Abraham	Bump version after 4.6.4 release	commit \| commitdiff \| tree
2013-11-08	Mark Abraham	Fix malformed CMake	commit \| commitdiff \| tree
2013-10-26	Roland Schulz	Fix NBNxN SIMD reference kernels	commit \| commitdiff \| tree
2013-10-26	Mark Abraham	Encapsulate gmx_wallclock_accounting_t into new timing...	commit \| commitdiff \| tree
2013-10-23	Mark Abraham	Merge branch release-4-6 into master	commit \| commitdiff \| tree
2013-10-20	Mark Abraham	Remove html target from and excessive PDFs for manual	commit \| commitdiff \| tree
2013-10-14	Szilard Pall	use CUDA texture objects when supported	commit \| commitdiff \| tree
2013-10-08	Mark Abraham	Remove some unused variables from MD loop	commit \| commitdiff \| tree
2013-10-06	Mark Abraham	Fixed triggering of CPU acceleration-scheme detection	commit \| commitdiff \| tree
2013-10-04	Teemu Murtola	Clean up CTest usage.	commit \| commitdiff \| tree
2013-10-03	Christoph Junghans	Fix parallel build for GMX_BUILD_OWN_FFTW	commit \| commitdiff \| tree
2013-09-26	Mark Abraham	Merge branch release-4-6	commit \| commitdiff \| tree
2013-09-26	Mark Abraham	Remove General Coupling Theory stuff	commit \| commitdiff \| tree
2013-09-20	Mark Abraham	Merge branch 'release-4-6'	commit \| commitdiff \| tree
2013-08-15	Mark Abraham	Productive afternoon of meetings... more quotes!	commit \| commitdiff \| tree
2013-08-09	Mark Abraham	Reordered FFTW fatal error; avoids using unset variables	commit \| commitdiff \| tree
2013-07-26	Mark Abraham	Merge branch release-4-6 into master	commit \| commitdiff \| tree
2013-07-24	Mark Abraham	Merge branch release-4-6 into master	commit \| commitdiff \| tree
2013-06-27	Roland Schulz	Merge branch 'release-4-6' into master	commit \| commitdiff \| tree
2013-06-16	Jeff Hammond	Define both C and C++ compilers in BGQ toolchains;...	commit \| commitdiff \| tree
2013-06-16	Jeff Hammond	Use more obvious name of BGQ compiler MPI wrappers	commit \| commitdiff \| tree
2013-06-16	Jeff Hammond	fix CMake bug related to TestQPX.c location	commit \| commitdiff \| tree
2013-06-16	Jeff Hammond	fixed a typo (unclosed bracket) that cause CMake to...	commit \| commitdiff \| tree
2013-05-30	Mark Abraham	New patch release 4.6.2	commit \| commitdiff \| tree
2013-05-26	Michael Shirts	Fix of memory leak	commit \| commitdiff \| tree
2013-05-07	Mark Abraham	Fix extant references to former GPL licensing	commit \| commitdiff \| tree
2013-04-26	Michael Shirts	Fixing a problem with dh/dl 1-4 interactions	commit \| commitdiff \| tree
2013-04-26	Mark Abraham	Update linking to MKL and document same	commit \| commitdiff \| tree
2013-04-19	Mark Abraham	v-rescale works with tau-t >= 0	commit \| commitdiff \| tree
2013-03-11	Mark Abraham	Added install guide section for BLAS/LAPACK	commit \| commitdiff \| tree
2013-03-05	Mark Abraham	Warn if X11 was not found and the user wanted it	commit \| commitdiff \| tree
2013-03-05	Mark Abraham	fix broken things in mkhtml	commit \| commitdiff \| tree
2013-02-26	Mark Abraham	Uncrustified code changes since 4.6	commit \| commitdiff \| tree
2013-02-20	Mark Abraham	Merge release-4-5-patches into release-4-6	commit \| commitdiff \| tree
2013-02-18	Roland Schulz	Issue errors/warnings for ICC before 12.0.0	commit \| commitdiff \| tree
2013-02-15	Michael Shirts	bugfix for md-vv + nose-hoover + (nstcalcenergy > nsttcouple)	commit \| commitdiff \| tree
2013-02-15	Mark Abraham	Use explicit kernel pointer typecasts	commit \| commitdiff \| tree
2013-02-15	Mark Abraham	Bump shared object version to 7	commit \| commitdiff \| tree
2013-02-15	Peter Kasson	Unwinds flag dependencies in g_order.	commit \| commitdiff \| tree
2013-02-13	Mark Abraham	Fix code bug with thread-MPI on PowerPC with xlc	commit \| commitdiff \| tree
2013-02-13	Mark Abraham	More descriptive Verlet kernel macro parameter names	commit \| commitdiff \| tree
2013-02-13	Mark Abraham	Fix and add Verlet kernel error messages	commit \| commitdiff \| tree
2013-02-13	Mark Abraham	Re-generated group kernels	commit \| commitdiff \| tree
2013-02-09	Mark Abraham	Typo fix	commit \| commitdiff \| tree
2013-02-05	Mark Abraham	Documented what GMX_CPU_ACCELERATION really means	commit \| commitdiff \| tree
2013-01-17	Mark Abraham	Updating the shell completion files	commit \| commitdiff \| tree
2013-01-17	Mark Abraham	Gromacs install guide updates.	commit \| commitdiff \| tree
2013-01-17	Mark Abraham	Merge branch 'release-4-5-patches' into release-4-6	commit \| commitdiff \| tree
2013-01-16	Roland Schulz	Don't cache ${FFTW}_HAVE_(SIMD\|AVX)	commit \| commitdiff \| tree
2013-01-16	Erik Lindahl	Fixed GB interactions for release-4-6	commit \| commitdiff \| tree
2013-01-16	Berk Hess	split off pick_nbnxn_resource from nbnxn_pick_nbnxn	commit \| commitdiff \| tree
2013-01-16	Mark Abraham	Quiet stderr output, particularly for multi-simulations	commit \| commitdiff \| tree
2013-01-16	Michael Shirts	fixes issues with pressure control and infrequent evaluation	commit \| commitdiff \| tree
2013-01-15	Mark Abraham	Added check for valid wall_atomtype in .mdp	commit \| commitdiff \| tree
2013-01-14	Mark Abraham	Added fatal error for constraints + L-BFGS minimizer	commit \| commitdiff \| tree
2013-01-14	Mark Abraham	Hid nbnxn kernel names behind a lookup function	commit \| commitdiff \| tree
2013-01-13	Mark Abraham	Updated code checks with distance restraints	commit \| commitdiff \| tree
2013-01-13	Mark Abraham	Fixing trjconv -sub	commit \| commitdiff \| tree
2013-01-13	Mark Abraham	Noting that and why gmxdump -s -sys is broken	commit \| commitdiff \| tree
2013-01-13	Mark Abraham	Manage BlueGene/Q configuration	commit \| commitdiff \| tree
2013-01-13	Mark Abraham	Re-organize BlueGene toolchain files	commit \| commitdiff \| tree
2013-01-13	Mark Abraham	Changed defaults for building shared libraries	commit \| commitdiff \| tree
2012-12-20	Michael Shirts	Fix for the pressure in MTTK with constraints + dispersion	commit \| commitdiff \| tree
2012-12-19	Mark Abraham	Removed orphan file	commit \| commitdiff \| tree
2012-12-19	Mark Abraham	Avoid using undefined CMake variables	commit \| commitdiff \| tree
2012-12-13	Mark Abraham	Fix typo	commit \| commitdiff \| tree
2012-12-06	Mark Abraham	Apply LGPL license to new files	commit \| commitdiff \| tree
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