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2013-10-28	Mark Abraham	Create fileio module	commit \| commitdiff \| tree
2013-10-26	Mark Abraham	Encapsulate gmx_wallclock_accounting_t into new timing...	commit \| commitdiff \| tree
2013-10-26	Mark Abraham	Cleaned up run time measurement	commit \| commitdiff \| tree
2013-10-26	Mark Abraham	Added documentation for gmx_runtime_t struct	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
2013-10-18	Mark Abraham	BlueGene/Q Verlet cut-off scheme kernels	commit \| commitdiff \| tree
2013-10-18	Mark Abraham	Call atomics from TestAtomic.c	commit \| commitdiff \| tree
2013-10-17	Mark Abraham	Move mdrun trajectory writing into wrapper function	commit \| commitdiff \| tree
2013-10-17	Mark Abraham	Fix typo in g_membed documentation	commit \| commitdiff \| tree
2013-10-16	Mark Abraham	Move manual repo into code repo, and make it build	commit \| commitdiff \| tree
2013-10-10	Mark Abraham	Introduced MPI initialization counter	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	Mark Abraham	Further consolidation of commrec initialization	commit \| commitdiff \| tree
2013-10-04	Mark Abraham	More consolidation of MPI initialization	commit \| commitdiff \| tree
2013-10-01	Mark Abraham	Broke some useless dependencies	commit \| commitdiff \| tree
2013-10-01	Mark Abraham	Split MPI initialization from t_commrec construction	commit \| commitdiff \| tree
2013-10-01	Mark Abraham	Silence clang warnings	commit \| commitdiff \| tree
2013-09-26	Mark Abraham	Un-duplicate gmx_gettime code	commit \| commitdiff \| tree
2013-09-26	Mark Abraham	Merge branch release-4-6	commit \| commitdiff \| tree
2013-09-26	Mark Abraham	Remove mdrun -ionize feature	commit \| commitdiff \| tree
2013-09-26	Mark Abraham	Remove General Coupling Theory stuff	commit \| commitdiff \| tree
2013-09-20	Mark Abraham	Remove repeat sfree(state->nosehoover_xi)	commit \| commitdiff \| tree
2013-09-20	Mark Abraham	Merge branch 'release-4-6'	commit \| commitdiff \| tree
2013-09-20	Mark Abraham	Described another way g_tune_pme might reasonably fail	commit \| commitdiff \| tree
2013-09-20	Mark Abraham	Fix total time measurement with separate PME nodes	commit \| commitdiff \| tree
2013-09-19	Mark Abraham	Fixed reading history_t from checkpoint	commit \| commitdiff \| tree
2013-09-19	Mark Abraham	Fixed g_tune_pme assumption that MPI is available	commit \| commitdiff \| tree
2013-09-18	Mark Abraham	Remove forcefield-scan feature	commit \| commitdiff \| tree
2013-08-25	Mark Abraham	Split up Verlet SIMD kernels for faster compilation	commit \| commitdiff \| tree
2013-08-25	Mark Abraham	Fix detection and suggestion in gmx_cpuid for IBM QPX	commit \| commitdiff \| tree
2013-08-25	Mark Abraham	Fixes for Bluegene/Q	commit \| commitdiff \| tree
2013-08-25	Mark Abraham	Consolidated NBNxN SIMD kernel utility routines	commit \| commitdiff \| tree
2013-08-25	Mark Abraham	Fix minor wallcycle output issues	commit \| commitdiff \| tree
2013-08-25	Mark Abraham	Fixed GMX_DD_DUMP_GRID	commit \| commitdiff \| tree
2013-08-20	Mark Abraham	Remove OpenMM	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
2013-08-05	Mark Abraham	Fixed reference SIMD code to work with MSVC	commit \| commitdiff \| tree
2013-08-01	Mark Abraham	Refactored preparation of buffer for NBNxN table loads	commit \| commitdiff \| tree
2013-08-01	Mark Abraham	Fixed example code function name	commit \| commitdiff \| tree
2013-07-30	Mark Abraham	Removed unused variables	commit \| commitdiff \| tree
2013-07-26	Mark Abraham	Merge branch release-4-6 into master	commit \| commitdiff \| tree
2013-07-25	Mark Abraham	Clarified logic in g_wham	commit \| commitdiff \| tree
2013-07-25	Mark Abraham	Find mkl.h on more icc versions	commit \| commitdiff \| tree
2013-07-25	Mark Abraham	Update management of linear algebra libraries	commit \| commitdiff \| tree
2013-07-24	Mark Abraham	Add five new quotes	commit \| commitdiff \| tree
2013-07-24	Mark Abraham	Removed buggy -seppot output	commit \| commitdiff \| tree
2013-07-24	Mark Abraham	Merge branch release-4-6 into master	commit \| commitdiff \| tree
2013-07-18	Mark Abraham	Fixed pdb2gmx -vsite hydrogen -o conf.pdb	commit \| commitdiff \| tree
2013-07-14	Mark Abraham	Fixed possible dereference of null pointer	commit \| commitdiff \| tree
2013-07-11	Mark Abraham	Fixed typos in #include guard #defines	commit \| commitdiff \| tree
2013-07-09	Mark Abraham	Remove orphan CMake file	commit \| commitdiff \| tree
2013-07-07	Mark Abraham	Fixed minor admin issues	commit \| commitdiff \| tree
2013-07-05	Mark Abraham	Bump version after 4.6.3 release	commit \| commitdiff \| tree
2013-07-01	Mark Abraham	Corrected definition of EEL_USER	commit \| commitdiff \| tree
2013-06-25	Mark Abraham	Fixed #include of header for atomics on K-computer	commit \| commitdiff \| tree
2013-06-13	Mark Abraham	Remove unused variables	commit \| commitdiff \| tree
2013-05-30	Mark Abraham	Merge "Merge branch 'release-4-6'"	commit \| commitdiff \| tree
2013-05-30	Mark Abraham	New patch release 4.6.2	commit \| commitdiff \| tree
2013-05-30	Mark Abraham	Work around for correct treatment of all-vs-all	commit \| commitdiff \| tree
2013-05-25	Mark Abraham	Make FFT detection quieter when nothing is changing	commit \| commitdiff \| tree
2013-05-22	Mark Abraham	Clarify g_gyrate -h	commit \| commitdiff \| tree
2013-05-22	Mark Abraham	Fix g_chi -omega	commit \| commitdiff \| tree
2013-05-21	Mark Abraham	Updated grompp cut-off and PME-Switch checks	commit \| commitdiff \| tree
2013-05-21	Mark Abraham	Hack compiler flags to silence warnings on gcc 4.8	commit \| commitdiff \| tree
2013-05-17	Mark Abraham	Introduce fatal error for GB with FE	commit \| commitdiff \| tree
2013-05-10	Mark Abraham	Merge "Fixes "Function type U-B not implemented in...	commit \| commitdiff \| tree
2013-05-10	Mark Abraham	Merge "improve build with OpenMM, still not 100% fixed...	commit \| commitdiff \| tree
2013-05-10	Mark Abraham	Merge "fixing rerun with free energy + .xtc or .gro...	commit \| commitdiff \| tree
2013-05-07	Mark Abraham	Fix extant references to former GPL licensing	commit \| commitdiff \| tree
2013-05-02	Mark Abraham	Merge "Improve master-specific CMake behavior."	commit \| commitdiff \| tree
2013-04-29	Mark Abraham	Merge "Update linking to MKL and document same" into...	commit \| commitdiff \| tree
2013-04-29	Mark Abraham	Merge "general SIMD acceleration for angles+dihedrals...	commit \| commitdiff \| tree
2013-04-29	Mark Abraham	Merge "PME load balancing now checks for PME grid restrictio...	commit \| commitdiff \| tree
2013-04-29	Mark Abraham	Merge "Fixing a problem with dh/dl 1-4 interactions...	commit \| commitdiff \| tree
2013-04-26	Mark Abraham	Merge "CUDA PME kernels with analytical Ewald correction...	commit \| commitdiff \| tree
2013-04-26	Mark Abraham	Merge "improved load balancing with Verlet cut-off...	commit \| commitdiff \| tree
2013-04-26	Mark Abraham	Update linking to MKL and document same	commit \| commitdiff \| tree
2013-04-25	Mark Abraham	Merge "Merge branch 'release-4-5-patches'" into release-4-6	commit \| commitdiff \| tree
2013-04-22	Mark Abraham	Merge "Use git snapshots of the tests if are on git...	commit \| commitdiff \| tree
2013-04-19	Mark Abraham	v-rescale works with tau-t >= 0	commit \| commitdiff \| tree
2013-04-12	Mark Abraham	Merge "removed x86 specifics from nbnxn SIMD kernels...	commit \| commitdiff \| tree
2013-04-12	Mark Abraham	Merge "corrected log file wall time breakdown" into...	commit \| commitdiff \| tree
2013-04-12	Mark Abraham	Merge "made PME work with a mix of 1 and more threads...	commit \| commitdiff \| tree
2013-03-12	Mark Abraham	Merge "fix broken things in mkhtml" into release-4-6	commit \| commitdiff \| tree
2013-03-11	Mark Abraham	Added install guide section for BLAS/LAPACK	commit \| commitdiff \| tree
2013-03-11	Mark Abraham	Merge "Fixes linkage with FFTW + MKL for BLAS/LAPACK...	commit \| commitdiff \| tree
2013-03-05	Mark Abraham	New patch release 4.6.1	commit \| commitdiff \| tree
2013-03-05	Mark Abraham	Fix automated regression testing GMXLIB value	commit \| commitdiff \| tree
2013-03-05	Mark Abraham	Fix regressiontests automated download	commit \| commitdiff \| tree
2013-03-05	Mark Abraham	Update shell completions	commit \| commitdiff \| tree
2013-03-05	Mark Abraham	Update outdated admin things	commit \| commitdiff \| tree
2013-03-05	Mark Abraham	Updated install guide	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	Mark Abraham	Fix CMake namespace pollution	commit \| commitdiff \| tree
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