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

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2015-06-25	Roland Schulz	Fix Wundef warnings	commit \| commitdiff \| tree
2015-06-25	Teemu Murtola	Move documentation on tool changes from wiki	commit \| commitdiff \| tree
2015-06-25	Mark Abraham	Merge "Merge release-5-0 into master"	commit \| commitdiff \| tree
2015-06-25	Berk Hess	Reenabled SIMD kernels without cut-offs	commit \| commitdiff \| tree
2015-06-24	Erik Lindahl	Avoid accessing hackblocks for x2top	commit \| commitdiff \| tree
2015-06-24	Magnus Lundborg	Update header when appending to TNG file.	commit \| commitdiff \| tree
2015-06-24	Berk Hess	GPU Ewald table kernel now uses CPU spacing	commit \| commitdiff \| tree
2015-06-24	Berk Hess	Avoid GPU selection with GPU emulation	commit \| commitdiff \| tree
2015-06-24	Berk Hess	Minor reformatting of SIMD mismatch message	commit \| commitdiff \| tree
2015-06-24	Berk Hess	Add sugar to print empty line in printBinaryInformation	commit \| commitdiff \| tree
2015-06-23	Erik Lindahl	Updated physical constants from NIST 2010 CODATA	commit \| commitdiff \| tree
2015-06-23	Erik Lindahl	Removed buggy -smooth hack in hbond module	commit \| commitdiff \| tree
2015-06-22	Berk Hess	Update launch configuration for physical nodes	commit \| commitdiff \| tree
2015-06-22	Roland Schulz	Fix GMX_ALIGNMENT for MSVC 2012 and 2013	commit \| commitdiff \| tree
2015-06-22	Berk Hess	Avoid fp exceptions in pair search debug	commit \| commitdiff \| tree
2015-06-22	Erik Lindahl	Fix compiler warnings in cmake tests	commit \| commitdiff \| tree
2015-06-22	Erik Lindahl	Use MPI_THREAD_FUNNELED when available	commit \| commitdiff \| tree
2015-06-22	Roland Schulz	Fix cmake 3.1 warnings with MSVC	commit \| commitdiff \| tree
2015-06-22	Erik Lindahl	Fix segfault in random access XTC searching	commit \| commitdiff \| tree
2015-06-22	Erik Lindahl	Fix argument order error for g_rmsdist	commit \| commitdiff \| tree
2015-06-22	Erik Lindahl	Fix gro errors with PDB insertion codes	commit \| commitdiff \| tree
2015-06-22	Berk Hess	Replaced hardware threads by logical cores in output	commit \| commitdiff \| tree
2015-06-21	Szilard Pall	fix CPU core oversubscription detection	commit \| commitdiff \| tree
2015-06-20	Erik Lindahl	Updated docs for g_gyrate	commit \| commitdiff \| tree
2015-06-20	Erik Lindahl	Fix potential buffer overflow in pdb2gmx	commit \| commitdiff \| tree
2015-06-20	Erik Lindahl	Disallow infinite epsilon with PME or GB.	commit \| commitdiff \| tree
2015-06-20	Erik Lindahl	Remove GMX_MAX_MPI_THREADS	commit \| commitdiff \| tree
2015-06-20	Erik Lindahl	Fix reproducibility bug in fft5d	commit \| commitdiff \| tree
2015-06-20	Erik Lindahl	Handle multidir/multisim with single argument correctly	commit \| commitdiff \| tree
2015-06-18	Berk Hess	Reduced the cost of the pull communication	commit \| commitdiff \| tree
2015-06-18	Mark Abraham	Fix typo in GMX_BUILD_OWN_FFTW message	commit \| commitdiff \| tree
2015-06-17	Teemu Murtola	Minor clean up for refdata.*	commit \| commitdiff \| tree
2015-06-17	Teemu Murtola	Improve logic for automatic selection names	commit \| commitdiff \| tree
2015-06-17	Berk Hess	Refactored pull data structures	commit \| commitdiff \| tree
2015-06-16	Mark Abraham	Stop people installing into the build tree	commit \| commitdiff \| tree
2015-06-16	Erik Lindahl	Fix CUDA version info in NVML application clock warning	commit \| commitdiff \| tree
2015-06-16	Erik Lindahl	Add membrane embedding docs	commit \| commitdiff \| tree
2015-06-16	Berk Hess	Added missing DD cycle counting	commit \| commitdiff \| tree
2015-06-16	Erik Lindahl	Updated FFTW recommendations in install-guide.	commit \| commitdiff \| tree
2015-06-16	Mark Abraham	Move code for managing mdrun -cpi and -append	commit \| commitdiff \| tree
2015-06-16	Berk Hess	Automated the -gpu_id option	commit \| commitdiff \| tree
2015-06-16	Erik Lindahl	Fix segfault with timer reset and -nb cpu	commit \| commitdiff \| tree
2015-06-16	Erik Lindahl	Avoid warning about affinity on Blue Gene, reduce warnings	commit \| commitdiff \| tree
2015-06-16	Mark Abraham	Fix pairs_nb not recognized as part of moleculetype	commit \| commitdiff \| tree
2015-06-16	Mark Abraham	Add unit tests for ArrayRef	commit \| commitdiff \| tree
2015-06-16	Roland Schulz	Fix warning in uncrustify	commit \| commitdiff \| tree
2015-06-15	Erik Lindahl	Fix OS X FFTW build failures introduced 86a772	commit \| commitdiff \| tree
2015-06-15	Erik Lindahl	Fixed SIMD detection and flags common for IBM archs	commit \| commitdiff \| tree
2015-06-13	Berk Hess	Hardware reporting now covers all nodes	commit \| commitdiff \| tree
2015-06-12	Teemu Murtola	Update help output	commit \| commitdiff \| tree
2015-06-12	Teemu Murtola	Initial docs for Jenkins integration	commit \| commitdiff \| tree
2015-06-12	Teemu Murtola	Initial build system documentation in dev guide	commit \| commitdiff \| tree
2015-06-12	Teemu Murtola	Improve Jenkins docs build	commit \| commitdiff \| tree
2015-06-11	Mark Abraham	Merge "Merge branch release-4-6 into release-5-0" into...	commit \| commitdiff \| tree
2015-06-11	Mark Abraham	Handle timing better in Jenkins	commit \| commitdiff \| tree
2015-06-11	Teemu Murtola	Script for Jenkins documentation build	commit \| commitdiff \| tree
2015-06-11	Mark Abraham	Clean up vsite interaction clean-up code	commit \| commitdiff \| tree
2015-06-09	Mark Abraham	Document limitations of trjconv -dump	commit \| commitdiff \| tree
2015-06-09	Teemu Murtola	Misc. improvements to docs build system	commit \| commitdiff \| tree
2015-06-09	Teemu Murtola	Improve user guide text for command line interface	commit \| commitdiff \| tree
2015-06-07	Erik Lindahl	Fix out-of-range integer literals for threefry	commit \| commitdiff \| tree
2015-06-06	Szilard Pall	Optimize atomic accumulation in CUDA NB kernel	commit \| commitdiff \| tree
2015-06-06	Roland Schulz	Use stat to check that paths are equivalent	commit \| commitdiff \| tree
2015-06-05	Roland Schulz	Reenable lincs/bonded SIMD for ICC on Windows	commit \| commitdiff \| tree
2015-06-05	Mark Abraham	Remove gmx_simd_check_and_reset_overflow	commit \| commitdiff \| tree
2015-06-05	Berk Hess	Don't use PME ranks with GPUs and -npme=-1	commit \| commitdiff \| tree
2015-06-04	Mark Abraham	Fix naming from "Gromacs" to "GROMACS"	commit \| commitdiff \| tree
2015-06-04	Erik Lindahl	More new quotes	commit \| commitdiff \| tree
2015-06-04	Teemu Murtola	Fix potential FPE in selection tests	commit \| commitdiff \| tree
2015-06-04	Teemu Murtola	Support rst tables in tool help texts	commit \| commitdiff \| tree
2015-06-03	Roland Schulz	Use stack buffer for LINCS&bonded gather/scatter	commit \| commitdiff \| tree
2015-06-02	Rossen Apostolov	Converted random module to C++.	commit \| commitdiff \| tree
2015-05-28	Teemu Murtola	Additional selection examples	commit \| commitdiff \| tree
2015-05-27	Berk Hess	Refactoring of PME load balancing	commit \| commitdiff \| tree
2015-05-27	Rossen Apostolov	Converted pulling code to C++.	commit \| commitdiff \| tree
2015-05-26	Mark Abraham	Avoid possible floating-point exception	commit \| commitdiff \| tree
2015-05-24	Teemu Murtola	Include selection keyword details in user guide	commit \| commitdiff \| tree
2015-05-23	Mark Abraham	Fix misuse of gmx_simd_check_and_reset_overflow	commit \| commitdiff \| tree
2015-05-22	Teemu Murtola	Base to get all 'gmx help' contents to user guide	commit \| commitdiff \| tree
2015-05-22	Teemu Murtola	Avoid crash with empty reference for 'same as' selection	commit \| commitdiff \| tree
2015-05-22	Teemu Murtola	Add subsection depth to HelpWriterContext	commit \| commitdiff \| tree
2015-05-22	Teemu Murtola	Add note about atom order in selections	commit \| commitdiff \| tree
2015-05-21	Teemu Murtola	Restructure CommandLineModuleManager tests	commit \| commitdiff \| tree
2015-05-21	Mark Abraham	Add integration test for empty domain	commit \| commitdiff \| tree
2015-05-20	Teemu Murtola	Fix dependencies for regression test custom target	commit \| commitdiff \| tree
2015-05-20	Teemu Murtola	Some tests for 'gmx help -export rst'	commit \| commitdiff \| tree
2015-05-19	Mark Abraham	Refactor FFTW setup	commit \| commitdiff \| tree
2015-05-18	Teemu Murtola	Merge "Merge branch origin/release-5-0"	commit \| commitdiff \| tree
2015-05-17	Erik Lindahl	Added hacks for SIMD rvec/load store in lincs & bondeds	commit \| commitdiff \| tree
2015-05-17	Teemu Murtola	Move a few defines to buildinfo.h	commit \| commitdiff \| tree
2015-05-16	Berk Hess	LINCS thread tasks can now be independent	commit \| commitdiff \| tree
2015-05-16	Mark Abraham	Suppress GCC5 warnings with internal Boost	commit \| commitdiff \| tree
2015-05-16	Magnus Lundborg	TNG version 1.7.5	commit \| commitdiff \| tree
2015-05-16	Alexey Shvetsov	Make bond-atomtypes case sensitive	commit \| commitdiff \| tree
2015-05-14	Mark Abraham	Fix own-FFTW build	commit \| commitdiff \| tree
2015-05-13	Teemu Murtola	Remove remaining old-html content	commit \| commitdiff \| tree
2015-05-13	Berk Hess	Fix segv in g_covar	commit \| commitdiff \| tree
2015-05-13	Szilard Pall	Fix auto-downloaded regression test execution	commit \| commitdiff \| tree
2015-05-13	Roland Schulz	Facilitate linking of static binaries	commit \| commitdiff \| tree
2015-05-12	Mark Abraham	Fix uninitialized fields in grompp t_state	commit \| commitdiff \| tree
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