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

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

2010-08-31	Szilard Pall	Merge branch 'release-4-5-patches' of git://git.gromacs...	commit \| commitdiff \| tree \| snapshot
2010-08-31	Szilard Pall	Improved option disabling on switching to OpenMM build...	commit \| commitdiff \| tree \| snapshot
2010-08-31	Szilard Pall	fixed/improved cmake FFTW3 detection	commit \| commitdiff \| tree \| snapshot
2010-08-31	Sander Pronk	thread_mpi fixes: gcc works on power7, xlc still does...	commit \| commitdiff \| tree \| snapshot
2010-08-31	Szilard	Removed leftover debug message from openmm_wrapper	commit \| commitdiff \| tree \| snapshot
2010-08-31	Teemu Murtola	Fixed CMake libxml2 detection.	commit \| commitdiff \| tree \| snapshot
2010-08-31	Berk Hess	avoided creation of neighborlists without j-particles	commit \| commitdiff \| tree \| snapshot
2010-08-31	Erik Lindahl	Added label writing capability to editconf when used...	commit \| commitdiff \| tree \| snapshot
2010-08-31	Erik Lindahl	Added check for <2 frames when autocorrelation is reque...	commit \| commitdiff \| tree \| snapshot
2010-08-31	Erik Lindahl	Moved buggy and unsupported g_sdf to contrib directory...	commit \| commitdiff \| tree \| snapshot
2010-08-31	Sander Pronk	Fixed warning in gmx_energy	commit \| commitdiff \| tree \| snapshot
2010-08-30	hess	g_rms now allows for more atoms in trx than tpr	commit \| commitdiff \| tree \| snapshot
2010-08-30	hess	small changes to grompp documentation	commit \| commitdiff \| tree \| snapshot
2010-08-30	Christoph Junghans	fixed Template.mak	commit \| commitdiff \| tree \| snapshot
2010-08-30	Christoph Junghans	fixed a typo in old libxdrf fortran wrapper	commit \| commitdiff \| tree \| snapshot
2010-08-30	Erik Lindahl	Improved handling of include paths in gmxcpp from Teemu	commit \| commitdiff \| tree \| snapshot
2010-08-30	Christoph Junghans	forcerec.c: added missing int	commit \| commitdiff \| tree \| snapshot
2010-08-30	Teemu Murtola	Cosmetic fix to include/CMakeLists.txt.	commit \| commitdiff \| tree \| snapshot
2010-08-30	Sander Pronk	grompp calculates output size with dh data estimate.	commit \| commitdiff \| tree \| snapshot
2010-08-30	Sander Pronk	Clearer error messages in g_energy.	commit \| commitdiff \| tree \| snapshot
2010-08-30	Sander Pronk	Fixed the g_energy -odh option to be less confusing.	commit \| commitdiff \| tree \| snapshot
2010-08-30	hess	Corrected trjconv check for topology presence, see...	commit \| commitdiff \| tree \| snapshot
2010-08-30	Mark Abraham	Made a pdb2gmx message less cryptic when it finds multi...	commit \| commitdiff \| tree \| snapshot
2010-08-29	Sander Pronk	Made the dhdl_derivatives option do something when...	commit \| commitdiff \| tree \| snapshot
2010-08-27	Erik Lindahl	Added longer list of authors...	commit \| commitdiff \| tree \| snapshot
2010-08-27	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-27	Erik Lindahl	Added check for SSE2 support to use generalized born...	commit \| commitdiff \| tree \| snapshot
2010-08-27	Christoph Junghans	added a missing include to sighandler.h	commit \| commitdiff \| tree \| snapshot
2010-08-26	Roland Schulz	Revert "Parenthesis around comparisons and no <= or...	commit \| commitdiff \| tree \| snapshot
2010-08-27	Roland Schulz	fix logic to convert GMX_INTEGER_BIG_ENDIAN to ARCH_IS_...	commit \| commitdiff \| tree \| snapshot
2010-08-27	Erik Lindahl	Added trjconv check for topology prescence, see bugzill...	commit \| commitdiff \| tree \| snapshot
2010-08-27	Rossen Apostolov	New release 4.5-beta4	commit \| commitdiff \| tree \| snapshot
2010-08-27	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-27	Erik Lindahl	Fixed gmxcpp to always use unix path separators in...	commit \| commitdiff \| tree \| snapshot
2010-08-27	Roland Schulz	Parenthesis around comparisons and no <= or >= for xlc	commit \| commitdiff \| tree \| snapshot
2010-08-27	Sander Pronk	Fixed begin and end times in g_bar.	commit \| commitdiff \| tree \| snapshot
2010-08-27	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-27	Erik Lindahl	Fixed another uninitialized variable warning in gmx_ene...	commit \| commitdiff \| tree \| snapshot
2010-08-27	Erik Lindahl	Add current path (./) to topol.top include when force...	commit \| commitdiff \| tree \| snapshot
2010-08-27	Sander Pronk	More documentation for g_bar.	commit \| commitdiff \| tree \| snapshot
2010-08-27	Erik Lindahl	Dont write EOF warnings to stdout every time we checkpo...	commit \| commitdiff \| tree \| snapshot
2010-08-27	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-27	Erik Lindahl	Fixed first statemement occuring before variable declar...	commit \| commitdiff \| tree \| snapshot
2010-08-27	Sander Pronk	Some documentation changes.	commit \| commitdiff \| tree \| snapshot
2010-08-27	Sander Pronk	Some documentation changes.	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	Modified pdb2gmx to automatically pick the force field...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Rossen Apostolov	Modified the OpenMM wrapper interface to support the...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Rossen Apostolov	Added the g_pme_error tool from Florian Dommert. Thanks!	commit \| commitdiff \| tree \| snapshot
2010-08-26	Rossen Apostolov	Fixed hardcoded OpenMM library name.	commit \| commitdiff \| tree \| snapshot
2010-08-26	Sander Pronk	gmx_bar now works with derivative histogram sets.	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	Fixed pointer typo in patch from Alexey Shvetsov	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	Added PBC checking patch to g_cluster from Alexey Shvet...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	Modified pdb2gmx to not accept extra hydrogen atoms...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Sander Pronk	Free energy histogram bug fixes.	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	true/false input settings should be called bool instead...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Berk Hess	fixed bug that caused corrupted checkpoint files	commit \| commitdiff \| tree \| snapshot
2010-08-26	Sander Pronk	derivative histograms are now written in both positive...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Berk Hess	pdb2gmx now only allows a mismatch of a sign (iso any...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Sander Pronk	g_bar reads dhdl.xvg files without derivatives.	commit \| commitdiff \| tree \| snapshot
2010-08-26	Sander Pronk	Free energy writing to ener.edr and four new options...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Teemu Murtola	Fixed valgrind warnings and a segfault in pdb2gmx.	commit \| commitdiff \| tree \| snapshot
2010-08-26	Mark Abraham	Spelling fixes in pdb2gmx documentation	commit \| commitdiff \| tree \| snapshot
2010-08-26	Mark Abraham	Made the description of ld_seed and gen_seed seed gener...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	Revert "Made pdb2gmx be slightly more helpful when...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Rossen Apostolov	Removed the unnecessary hacks from some boolean statements.	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	Updated completions for 4.5 release	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	Made /usr/local/gromacs default installation path in...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	Updated html documentation for release 4.5	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	Updated manual pages, now with correct version (4.5...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	Fix for warning in ngmx makefile	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	Changed version to beta4	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	Updated scripts to produce 4.5 man pages	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	Updated manpages for 4.5 release	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	Removed useless g_logo and g_highway programs from...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	g_kinetics removed from automatically built programs...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Mark Abraham	Fixed HTML documentation to use proper '&ge', not ...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Mark Abraham	Clarified documentation about when gen_vel generates...	commit \| commitdiff \| tree \| snapshot
2010-08-25	Erik Lindahl	Fixed include path in vmdio.h	commit \| commitdiff \| tree \| snapshot
2010-08-25	Erik Lindahl	Forgot to actually do the char->int change...	commit \| commitdiff \| tree \| snapshot
2010-08-25	Erik Lindahl	Changed bool to signed integer instead of unsigned...	commit \| commitdiff \| tree \| snapshot
2010-08-25	Rossen Apostolov	Redefine the default boolean type to gmx_bool.	commit \| commitdiff \| tree \| snapshot
2010-08-25	Erik Lindahl	Added missing header include	commit \| commitdiff \| tree \| snapshot
2010-08-25	hess	turned on pdb2gmx Amber rtp renaming for pdb input...	commit \| commitdiff \| tree \| snapshot
2010-08-25	hess	fixed pdb2gmx not automatically changing termini rtp...	commit \| commitdiff \| tree \| snapshot
2010-08-25	David van der...	Made genrestr -constr to produce constraints of type...	commit \| commitdiff \| tree \| snapshot
2010-08-25	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-25	Erik Lindahl	Made sure all source files have some copyright header...	commit \| commitdiff \| tree \| snapshot
2010-08-25	Mark Abraham	Fixed leak from unclosed directory handles when pdb2gmx...	commit \| commitdiff \| tree \| snapshot
2010-08-25	Mark Abraham	Made pdb2gmx be slightly more helpful when using AMBER...	commit \| commitdiff \| tree \| snapshot
2010-08-24	Erik Lindahl	Re-added openmm paper	commit \| commitdiff \| tree \| snapshot
2010-08-24	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-24	Erik Lindahl	Updated intel syntax x86-64 asm files to also support...	commit \| commitdiff \| tree \| snapshot
2010-08-24	hess	pdb2gmx can now rename terminal rtp entries with rtp...	commit \| commitdiff \| tree \| snapshot
2010-08-24	hess	added Amber terminal His rtp names to residuetypes.dat	commit \| commitdiff \| tree \| snapshot
2010-08-24	Sander Pronk	Another try with xlc/ppc atomics..	commit \| commitdiff \| tree \| snapshot
2010-08-24	Berk Hess	fixed pdb2gmx using start name iso end name for C-terminus	commit \| commitdiff \| tree \| snapshot
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