BioD PNPI Git Repos - alexxy/gromacs.git/search

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2013-11-07	David van der Spoel	12 new quotes	commit \| commitdiff \| tree
2013-11-07	Marcus D. Hanwell	Added enumeration of valid build types for CMake GUI	commit \| commitdiff \| tree
2013-11-01	Mark Abraham	Added gmx_omp_nthreads_set for use in testing	commit \| commitdiff \| tree
2013-10-31	Teemu Murtola	Move more timing routines into timing/.	commit \| commitdiff \| tree
2013-10-30	Mark Abraham	Silence warnings about scanner.cpp	commit \| commitdiff \| tree
2013-10-30	Alexey Shvetsov	nbnxn_kernels: Clean up -Wunused-parameter warnings	commit \| commitdiff \| tree
2013-10-30	Teemu Murtola	Markup substitution through HelpWriterContext.	commit \| commitdiff \| tree
2013-10-30	Mark Abraham	Merge "Merge release-4-6 into master"	commit \| commitdiff \| tree
2013-10-29	Alexey Shvetsov	mdlib: Clean up -Wunused-parameter warnings	commit \| commitdiff \| tree
2013-10-29	Berk Hess	corrected volume with serial NPT replica exchange	commit \| commitdiff \| tree
2013-10-29	Mark Abraham	Renamed and removed last references to GMX_CRAY_XT3	commit \| commitdiff \| tree
2013-10-29	Magnus Lundborg	Fixed memory leak in gmxdump.	commit \| commitdiff \| tree
2013-10-28	Berk Hess	improved the nbnxn buffer size estimate with GPUs	commit \| commitdiff \| tree
2013-10-28	Teemu Murtola	Overview Doxygen pages for analysis framework.	commit \| commitdiff \| tree
2013-10-28	Teemu Murtola	Some overview content for Doxygen documentation.	commit \| commitdiff \| tree
2013-10-28	Teemu Murtola	Misc. Doxygen updates for src/gromacs/utility/.	commit \| commitdiff \| tree
2013-10-28	Mark Abraham	Create fileio module	commit \| commitdiff \| tree
2013-10-28	Teemu Murtola	Simplify code structure for C++ analysis tools	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
2013-10-20	Teemu Murtola	Remove useless warnings from Doxygen logs.	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
2013-10-18	Roland Schulz	Fix tMPI_Atomic_memory_barrier for MIC	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
2013-10-17	Roland Schulz	Fix SIMD C reference nbnxn kernels	commit \| commitdiff \| tree
2013-10-17	Michael Shirts	Restarting from checkpoint no longer reinitializes...	commit \| commitdiff \| tree
2013-10-16	Teemu Murtola	Remove latex help export.	commit \| commitdiff \| tree
2013-10-16	Mark Abraham	Move manual repo into code repo, and make it build	commit \| commitdiff \| tree
2013-10-16	Berk Hess	avoid division by zero in SIMD angles and dihedrals	commit \| commitdiff \| tree
2013-10-16	Michael Shirts	turning off expanded ensemble for all integrators but...	commit \| commitdiff \| tree
2013-10-16	Berk Hess	fixed a half bin misalignment in gmx_vanhove -or	commit \| commitdiff \| tree
2013-10-16	Michael Shirts	Fixes a problem with pair type 2 interactions with...	commit \| commitdiff \| tree
2013-10-15	Szilard Pall	make use of CUDA stream priorities	commit \| commitdiff \| tree
2013-10-15	Teemu Murtola	Fix/improve installation directory logic.	commit \| commitdiff \| tree
2013-10-11	Berk Hess	introduced general 4-wide SIMD support	commit \| commitdiff \| tree
2013-10-10	Mark Abraham	Introduced MPI initialization counter	commit \| commitdiff \| tree
2013-10-07	Teemu Murtola	HTML export from the wrapper binary.	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
2013-10-04	Teemu Murtola	Reorganize static/shared library management.	commit \| commitdiff \| tree
2013-10-03	Teemu Murtola	CMake helper for tracking cache variable changes.	commit \| commitdiff \| tree
2013-10-03	Teemu Murtola	Remove unused shift_util.c.	commit \| commitdiff \| tree
2013-10-03	Teemu Murtola	Improve diagnostics with empty selections.	commit \| commitdiff \| tree
2013-10-03	Teemu Murtola	Man page export from the wrapper binary.	commit \| commitdiff \| tree
2013-10-03	Teemu Murtola	Use filenm.c data for FileNameOption.	commit \| commitdiff \| tree
2013-10-03	Teemu Murtola	Fix warnings with Doxygen 1.8.5.	commit \| commitdiff \| tree
2013-10-02	Berk Hess	Fixes reaction field free energy bug	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
2013-09-30	David van der Spoel	Change name of gmxdump to dump and gmxcheck to check	commit \| commitdiff \| tree
2013-09-29	Szilard Pall	allow compilation to optimize for CUDA compute cap...	commit \| commitdiff \| tree
2013-09-29	Teemu Murtola	Remove obsolete efHAT and src/ngmx/dlgtest.	commit \| commitdiff \| tree
2013-09-29	David van der Spoel	Fixes bug in processing virtual_sitesn in grompp.	commit \| commitdiff \| tree
2013-09-29	Jarvist Moore Frost	Corrected info text. -center --> -boxcenter	commit \| commitdiff \| tree
2013-09-27	Manuel Luitz	Fixed limitations in g_cluster	commit \| commitdiff \| tree
2013-09-26	Michael Shirts	logic fix for free energies with mdrun -rerun	commit \| commitdiff \| tree
2013-09-26	Christoph Junghans	Drop md5sum check for GMX_BUILD_OWN_FFTW	commit \| commitdiff \| tree
2013-09-26	Mark Abraham	Un-duplicate gmx_gettime code	commit \| commitdiff \| tree
2013-09-26	Teemu Murtola	Merge "Merge branch release-4-6"	commit \| commitdiff \| tree
2013-09-26	Alexey Shvetsov	g_tune_pme: Clean up -Wunused-parameter warnings	commit \| commitdiff \| tree
2013-09-26	David van der Spoel	Made MW of the Vsite particle type.	commit \| commitdiff \| tree
2013-09-26	Alexey Shvetsov	programs: clean up -Wunused-parameter warnings	commit \| commitdiff \| tree
2013-09-26	Mark Abraham	Remove mdrun -ionize feature	commit \| commitdiff \| tree
2013-09-26	Teemu Murtola	thread_mpi: Clean up -Wunused-parameter warnings.	commit \| commitdiff \| tree
2013-09-26	Teemu Murtola	CMake helper for dependent cache variables.	commit \| commitdiff \| tree
2013-09-25	Erik Lindahl	Fix bug in (long) neighborlist SIMD padding when adding...	commit \| commitdiff \| tree
2013-09-24	Berk Hess	optimized generic SIMD invsqrt	commit \| commitdiff \| tree
2013-09-23	Teemu Murtola	Merge "Merge branch 'release-4-6'"	commit \| commitdiff \| tree
2013-09-21	Berk Hess	fixed multiple distance restraints with OpenMP	commit \| commitdiff \| tree
2013-09-21	Teemu Murtola	CMake helper for multichoice options.	commit \| commitdiff \| tree
2013-09-21	David van der Spoel	Moved ngmx to C++, renamed it to view.	commit \| commitdiff \| tree
2013-09-20	Mark Abraham	Remove repeat sfree(state->nosehoover_xi)	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
2013-09-20	Teemu Murtola	CMake cleanup.	commit \| commitdiff \| tree
2013-09-19	Teemu Murtola	Make uncrustify.sh more verbose on errors.	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
2013-09-19	Teemu Murtola	Uniform code path for writing out console help.	commit \| commitdiff \| tree
2013-09-19	Teemu Murtola	Framework for help export from wrapper binary.	commit \| commitdiff \| tree
2013-09-18	Berk Hess	made free energy PME kernel 40% faster	commit \| commitdiff \| tree
2013-09-18	Mark Abraham	Remove forcefield-scan feature	commit \| commitdiff \| tree
2013-09-16	Michael Shirts	Fixing manual for sc-coul description.	commit \| commitdiff \| tree
2013-09-16	Berk Hess	mdrun without OpenMP with thread-MPI now uses all cores	commit \| commitdiff \| tree
2013-09-13	Berk Hess	corrected grompp constraint/DOF warning with vsites	commit \| commitdiff \| tree
2013-09-13	Teemu Murtola	Add option to build a standalone mdrun binary only.	commit \| commitdiff \| tree
2013-09-13	Teemu Murtola	Move mdrun into the wrapper binary.	commit \| commitdiff \| tree
2013-09-13	Teemu Murtola	Make parse_common_args() not exit.	commit \| commitdiff \| tree
2013-09-13	Teemu Murtola	Remove unused -man output formats.	commit \| commitdiff \| tree
2013-09-09	Teemu Murtola	Make gmx_ana_pos_t a C++ class.	commit \| commitdiff \| tree
2013-09-09	Teemu Murtola	Add some legends to C++ tool output.	commit \| commitdiff \| tree
2013-09-08	Teemu Murtola	Remove duplicate .nr members from selection structs.	commit \| commitdiff \| tree
2013-09-08	Teemu Murtola	Remove gmx_ana_indexmap_t::bMapStatic.	commit \| commitdiff \| tree
2013-09-08	Teemu Murtola	Move gmx_ana_pos_t::g into gmx_ana_indexmap_t.	commit \| commitdiff \| tree
2013-09-05	Teemu Murtola	AbstractAnalysisData module handling into a separate...	commit \| commitdiff \| tree
2013-09-01	Teemu Murtola	Merge "Merge branch release-4-6 into master"	commit \| commitdiff \| tree
2013-08-30	David van der Spoel	Updated g_cluster	commit \| commitdiff \| tree
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