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

biod.pnpi.spb.ru / alexxy / gromacs.git / shortlog

2009-12-21	unknown	Fixed indexing typo, and definition of Suzuki-Yashida...	commit \| commitdiff \| tree \| snapshot
2009-12-20	Michael Shirts	Cleanup after last commit.	commit \| commitdiff \| tree \| snapshot
2009-12-20	Michael Shirts	Fixed some problems with calculation of dispersion...	commit \| commitdiff \| tree \| snapshot
2009-12-20	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree \| snapshot
2009-12-20	Michael Shirts	Made default value of the number of nose-hoover chains...	commit \| commitdiff \| tree \| snapshot
2009-12-20	Michael Shirts	now Nose-Hoover variables are written to mdebin only...	commit \| commitdiff \| tree \| snapshot
2009-12-20	Michael Shirts	Fixed an issue with checkpointing not getting the first...	commit \| commitdiff \| tree \| snapshot
2009-12-19	Teemu Murtola	Fixed interactive selection help.	commit \| commitdiff \| tree \| snapshot
2009-12-19	Michael Shirts	changed output options to be more concise in the disper...	commit \| commitdiff \| tree \| snapshot
2009-12-19	Michael Shirts	Some bug fixes for the dispersion correction.	commit \| commitdiff \| tree \| snapshot
2009-12-19	Michael Shirts	Changing the cpt file number; can't quite get it to...	commit \| commitdiff \| tree \| snapshot
2009-12-19	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree \| snapshot
2009-12-19	Michael Shirts	Making the code thread safe (removing the static ints...	commit \| commitdiff \| tree \| snapshot
2009-12-17	Teemu Murtola	Velocities and forces for selections.	commit \| commitdiff \| tree \| snapshot
2009-12-17	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree \| snapshot
2009-12-17	Michael Shirts	added back in nosehoover_xi to tpr to avoid incompatibi...	commit \| commitdiff \| tree \| snapshot
2009-12-17	Michael Shirts	Changed eiVV2 to eiVVAK, and "md-vv2" to "md-vv-avek...	commit \| commitdiff \| tree \| snapshot
2009-12-17	Berk Hess	fixed typos in the g_msd description	commit \| commitdiff \| tree \| snapshot
2009-12-17	Berk Hess	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree \| snapshot
2009-12-17	Berk Hess	corrected the g_msd description	commit \| commitdiff \| tree \| snapshot
2009-12-17	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree \| snapshot
2009-12-17	Peter Kasson	Minor fix for checkpointing.	commit \| commitdiff \| tree \| snapshot
2009-12-16	Erik Lindahl	Manual application of patch 5c076c352b4c8a43b52ab441691...	commit \| commitdiff \| tree \| snapshot
2009-12-16	unknown	Fixed name clashes with pre-defined names in our favori...	commit \| commitdiff \| tree \| snapshot
2009-12-16	Teemu Murtola	Use read_stdin_line() for selections from a pipe.	commit \| commitdiff \| tree \| snapshot
2009-12-16	Roland Schulz	Added CMake code to enable option of building "old...	commit \| commitdiff \| tree \| snapshot
2009-12-15	Sander Pronk	Fixes in autoconf and source for Math Kernel Library...	commit \| commitdiff \| tree \| snapshot
2009-12-15	Berk Hess	fixed the cycle counter n for the PME subdivision	commit \| commitdiff \| tree \| snapshot
2009-12-15	Berk Hess	added PME subdivision to cycle counters	commit \| commitdiff \| tree \| snapshot
2009-12-15	Berk Hess	added PME subdivision to cycle counters	commit \| commitdiff \| tree \| snapshot
2009-12-14	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree \| snapshot
2009-12-14	Peter Kasson	Changed SSE typecasts back to #defines for portability...	commit \| commitdiff \| tree \| snapshot
2009-12-14	Teemu Murtola	Better selection stdin handling.	commit \| commitdiff \| tree \| snapshot
2009-12-14	David van der...	Changed atomnumber for OS (opls_179, opls_180) to 8...	commit \| commitdiff \| tree \| snapshot
2009-12-14	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree \| snapshot
2009-12-12	Erik Lindahl	Replaced acos-based method for calculating angles betwe...	commit \| commitdiff \| tree \| snapshot
2009-12-11	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree \| snapshot
2009-12-11	Erik Lindahl	Fixed signed/unsigned comparison mismatch in scanner...	commit \| commitdiff \| tree \| snapshot
2009-12-11	Erik Lindahl	Merge branch 'master' of git.gromacs.org:gromacs	commit \| commitdiff \| tree \| snapshot
2009-12-11	Erik Lindahl	Fixed errors in vmdio.c when compiled with MSVC8, 64bit	commit \| commitdiff \| tree \| snapshot
2009-12-11	Roland Schulz	compiling with mpi and c++ -> set CXX to MPICC (as...	commit \| commitdiff \| tree \| snapshot
2009-12-11	Per Larsson	Increased range and density in GB table	commit \| commitdiff \| tree \| snapshot
2009-12-11	Sander Pronk	thread_mpi: fixed 32-bit x86 atomics + a small bug...	commit \| commitdiff \| tree \| snapshot
2009-12-11	Per Larsson	Fixed a few bugs in the SSE2 intrinsics in include...	commit \| commitdiff \| tree \| snapshot
2009-12-10	kasson	Added CMake code to enable option of building "old...	commit \| commitdiff \| tree \| snapshot
2009-12-10	kasson	Workarounds for md5.	commit \| commitdiff \| tree \| snapshot
2009-12-09	Sander Pronk	Fixed duplicate vmdio.h file in include/Makefile.am	commit \| commitdiff \| tree \| snapshot
2009-12-09	Sander Pronk	Added MPI_Cart_sub() to thread_mpi.	commit \| commitdiff \| tree \| snapshot
2009-12-09	Berk Hess	fixed g_rdf -s -xy hanging	commit \| commitdiff \| tree \| snapshot
2009-12-07	David van der...	Merge branch 'master' of git.gromacs.org:gromacs	commit \| commitdiff \| tree \| snapshot
2009-12-07	David van der...	Updated	commit \| commitdiff \| tree \| snapshot
2009-12-07	Berk Hess	added new include files to include/Makefile.am	commit \| commitdiff \| tree \| snapshot
2009-12-05	Michael Shirts	fix for rerun printing	commit \| commitdiff \| tree \| snapshot
2009-12-05	Michael Shirts	made some output fixes.	commit \| commitdiff \| tree \| snapshot
2009-12-05	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree \| snapshot
2009-12-04	Erik Lindahl	typo in name for gmx_mm_castsi128_ps()	commit \| commitdiff \| tree \| snapshot
2009-12-04	Erik Lindahl	Fixed gromacs wrapper fot _mm_castsi128_ps intrinsic...	commit \| commitdiff \| tree \| snapshot
2009-12-04	Michael Shirts	trying to get parallel version correct.	commit \| commitdiff \| tree \| snapshot
2009-12-04	Michael Shirts	Rewrite of the half-step ekin for velocity verlet,...	commit \| commitdiff \| tree \| snapshot
2009-12-03	Erik Lindahl	Committed all-angle-constraint fix from Peter Eastman...	commit \| commitdiff \| tree \| snapshot
2009-12-03	Erik Lindahl	Enabled separate PME nodes(threads) with thread-mpi...	commit \| commitdiff \| tree \| snapshot
2009-12-03	Sander Pronk	Fixed more g_bar output issues.	commit \| commitdiff \| tree \| snapshot
2009-12-03	Sander Pronk	fixed indexing error in g_bar introduced by previous...	commit \| commitdiff \| tree \| snapshot
2009-12-02	Berk Hess	fixed incorrect g_bar check for missing lambda values	commit \| commitdiff \| tree \| snapshot
2009-12-02	Berk Hess	fixed ga2la index for empty DD cells	commit \| commitdiff \| tree \| snapshot
2009-12-02	Erik Lindahl	Merge branch 'master' of git.gromacs.org:gromacs	commit \| commitdiff \| tree \| snapshot
2009-12-02	Erik Lindahl	Fixed mutex deadlock in gmx_fseek	commit \| commitdiff \| tree \| snapshot
2009-12-01	David van der...	Added include/vmdio.h to the installable headers due...	commit \| commitdiff \| tree \| snapshot
2009-12-01	Roland Schulz	union instead of two pointers to same address (brakes...	commit \| commitdiff \| tree \| snapshot
2009-11-30	Roland Schulz	a few more ffopen/ffclose fixes	commit \| commitdiff \| tree \| snapshot
2009-11-30	Roland Schulz	close all files with ffclose which are opened with...	commit \| commitdiff \| tree \| snapshot
2009-11-30	Roland Schulz	full license text for vmd files	commit \| commitdiff \| tree \| snapshot
2009-11-30	Roland Schulz	added missing include files	commit \| commitdiff \| tree \| snapshot
2009-11-30	Roland Schulz	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree \| snapshot
2009-11-30	Roland Schulz	reorganized so that it is easier to use vmdplugins...	commit \| commitdiff \| tree \| snapshot
2009-11-30	Roland Schulz	fix of error introduced by me doing C++ fixes	commit \| commitdiff \| tree \| snapshot
2009-11-30	Carsten Kutzner	g_tune_pme now does proper cleanup also with pull simul...	commit \| commitdiff \| tree \| snapshot
2009-11-30	Sander Pronk	Improved formatting in output of g_bar.	commit \| commitdiff \| tree \| snapshot
2009-11-30	Sander Pronk	Fixed deadlock when debug>0.	commit \| commitdiff \| tree \| snapshot
2009-11-30	Michael Shirts	More changes to get it working with EkinAveEkin	commit \| commitdiff \| tree \| snapshot
2009-11-30	Michael Shirts	More fixes for correct pressure with EkinAveEkin	commit \| commitdiff \| tree \| snapshot
2009-11-30	Michael Shirts	Committing another fix!	commit \| commitdiff \| tree \| snapshot
2009-11-30	Michael Shirts	Typo fix.	commit \| commitdiff \| tree \| snapshot
2009-11-30	Michael Shirts	Fixed typo -- correct \| to \|\|	commit \| commitdiff \| tree \| snapshot
2009-11-30	Michael Shirts	Another try for getting parallel pressure computation...	commit \| commitdiff \| tree \| snapshot
2009-11-30	Michael Shirts	Fix that will helpfully solve problems for parallel...	commit \| commitdiff \| tree \| snapshot
2009-11-29	Michael Shirts	Fixed a bug introduced a few commits ago for iterative...	commit \| commitdiff \| tree \| snapshot
2009-11-29	Michael Shirts	Added some explanation on a code bit that may need...	commit \| commitdiff \| tree \| snapshot
2009-11-29	Michael Shirts	Added some minor typo fixes. Should check to make...	commit \| commitdiff \| tree \| snapshot
2009-11-29	Michael Shirts	Reversion of last checking -- didn't help.	commit \| commitdiff \| tree \| snapshot
2009-11-29	Michael Shirts	Fix for set900npt with EkinAve	commit \| commitdiff \| tree \| snapshot
2009-11-29	Michael Shirts	Change for parallelization of pressure calculation...	commit \| commitdiff \| tree \| snapshot
2009-11-29	Michael Shirts	Fix for parallel temperature and pressure on initial...	commit \| commitdiff \| tree \| snapshot
2009-11-29	Michael Shirts	New attempt to correctly pass parallel information...	commit \| commitdiff \| tree \| snapshot
2009-11-29	Michael Shirts	Typo fix	commit \| commitdiff \| tree \| snapshot
2009-11-29	Michael Shirts	Revert "Attempt to get parallelization working correctly."	commit \| commitdiff \| tree \| snapshot
2009-11-29	Michael Shirts	Attempt to make the pressure work in parallel!	commit \| commitdiff \| tree \| snapshot
2009-11-29	Michael Shirts	Attempt to get parallelization working correctly.	commit \| commitdiff \| tree \| snapshot
2009-11-28	Michael Shirts	Working for checkpointing in the same way as the CVS...	commit \| commitdiff \| tree \| snapshot
2009-11-28	Michael Shirts	Checkpoints now work in the single processor case	commit \| commitdiff \| tree \| snapshot
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