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

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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
2013-10-01	Mark Abraham	Broke some useless dependencies	commit \| commitdiff \| tree
2013-10-01	Mark Abraham	Split MPI initialization from t_commrec construction	commit \| commitdiff \| tree
2013-09-30	David van der Spoel	Change name of gmxdump to dump and gmxcheck to check	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
2013-09-26	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
2013-09-24	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
2013-08-30	Teemu Murtola	Clean-up and improvements in C++ tools.	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	Berk Hess	introduced nbnxn data structure for bounding boxes	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
2013-08-24	Teemu Murtola	Fine-tune copyright printing.	commit \| commitdiff \| tree
2013-08-21	Teemu Murtola	Statistics for gmx-distance.	commit \| commitdiff \| tree
2013-08-21	Teemu Murtola	Lifetime statistics into gmx-select.	commit \| commitdiff \| tree
2013-08-20	Mark Abraham	Remove OpenMM	commit \| commitdiff \| tree
2013-08-20	Berk Hess	fixed parallel normal modes with PME	commit \| commitdiff \| tree
2013-08-16	Teemu Murtola	Replacement for g_bond and g_dist.	commit \| commitdiff \| tree
2013-08-11	Teemu Murtola	Support for multiple analysis data sets in modules.	commit \| commitdiff \| tree
2013-08-11	Teemu Murtola	Base support for multiple analysisdata data sets.	commit \| commitdiff \| tree
2013-08-10	Teemu Murtola	Remove superfluous selection names from refdata.	commit \| commitdiff \| tree
2013-08-10	Teemu Murtola	Add check for unsorted index groups in selections.	commit \| commitdiff \| tree
2013-08-09	Teemu Murtola	Treat exceptions better in interactive selections.	commit \| commitdiff \| tree
2013-08-05	Mark Abraham	Fixed reference SIMD code to work with MSVC	commit \| commitdiff \| tree
2013-08-05	Teemu Murtola	Add unit tests for index groups in selections.	commit \| commitdiff \| tree
2013-08-04	Teemu Murtola	Add unit test coverage for simple selection keywords.	commit \| commitdiff \| tree
2013-08-03	Teemu Murtola	File utils to C++.	commit \| commitdiff \| tree
2013-08-02	Teemu Murtola	Add an option to disable all asserts for coverage.	commit \| commitdiff \| tree
2013-08-01	Mark Abraham	Refactored preparation of buffer for NBNxN table loads	commit \| commitdiff \| tree
2013-08-01	Carsten Kutzner	Properly finalize MPI on mdrun -version. Fixes #1313	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
2013-07-30	Teemu Murtola	Handle wrapper binary options also for symlinks.	commit \| commitdiff \| tree
2013-07-30	Teemu Murtola	Better command-line option handling for tests.	commit \| commitdiff \| tree
2013-07-25	Justin Lemkul	Updated dlist.c to recognize more atom names.	commit \| commitdiff \| tree
2013-07-25	Alexey Shvetsov	nb_kernel_sparc64_hpc_ace_double: clean up -Wunused...	commit \| commitdiff \| tree
2013-07-25	Alexey Shvetsov	nb_kernel_sse4_1_double: clean up -Wunused-parameter...	commit \| commitdiff \| tree
2013-07-25	Alexey Shvetsov	nb_kernel_sse2_double: clean up -Wunused-parameter...	commit \| commitdiff \| tree
2013-07-25	Alexey Shvetsov	nb_kernel_avx_256_double: clean up -Wunused-parameter...	commit \| commitdiff \| tree
2013-07-25	Alexey Shvetsov	nb_kernel_avx_128_fma_double: clean up -Wunused-parameter...	commit \| commitdiff \| tree
2013-07-25	Alexey Shvetsov	nb_kernel_sse2_single: clean up -Wunused-parameter...	commit \| commitdiff \| tree
2013-07-25	Alexey Shvetsov	nb_kernel_sse4_1_single: clean up -Wunused-parameter...	commit \| commitdiff \| tree
2013-07-25	Alexey Shvetsov	nb_kernel_avx_128_fma_single: clean up -Wunused-parameter...	commit \| commitdiff \| tree
2013-07-25	Alexey Shvetsov	nb_kernel_avx_256_single: clean up -Wunused-parameter...	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	Alexey Shvetsov	nonbonded and nb_kernel_c: clean up -Wunused-parameter...	commit \| commitdiff \| tree
2013-07-25	Alexey Shvetsov	mdlib: clean up -Wunused-parameter warnings	commit \| commitdiff \| tree
2013-07-25	Mark Abraham	Update management of linear algebra libraries	commit \| commitdiff \| tree
2013-07-25	Teemu Murtola	Add unit tests for selection position calculation.	commit \| commitdiff \| tree
2013-07-24	Mark Abraham	Add five new quotes	commit \| commitdiff \| tree
2013-07-24	Teemu Murtola	Fix pthread detection for GMock	commit \| commitdiff \| tree
2013-07-24	Berk Hess	implemented plain-C SIMD macros for reference	commit \| commitdiff \| tree
2013-07-24	Mark Abraham	Removed buggy -seppot output	commit \| commitdiff \| tree
2013-07-24	Roland Schulz	Merge "Merge branch release-4-6 into master"	commit \| commitdiff \| tree
2013-07-22	Teemu Murtola	Convenience methods for implementing main().	commit \| commitdiff \| tree
2013-07-22	Teemu Murtola	Improve program name reporting.	commit \| commitdiff \| tree
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