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

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

2011-03-30	Carsten Kutzner	Checks for zero-mass atoms in ED, better ordering of...	commit \| commitdiff \| tree \| snapshot
2011-03-26	Mark Abraham	Fixed g_cluster logic error	commit \| commitdiff \| tree \| snapshot
2011-03-26	Mark Abraham	Made gmx_rmpbc_t object functions not segfault	commit \| commitdiff \| tree \| snapshot
2011-03-26	Mark Abraham	Fixed matio.c sfree() that made DvdS cry.	commit \| commitdiff \| tree \| snapshot
2011-03-25	Sander Pronk	Fixed deallocation bug in energy history checkpoint	commit \| commitdiff \| tree \| snapshot
2011-03-24	Justin Lemkul	Fixed incorrect reference in g_tcaf.	commit \| commitdiff \| tree \| snapshot
2011-03-23	Justin Lemkul	Tons of small fixes to documentation.	commit \| commitdiff \| tree \| snapshot
2011-03-22	Justin Lemkul	Lots of editorial fixes to descriptions, etc. to make...	commit \| commitdiff \| tree \| snapshot
2011-03-22	Berk Hess	fixed replica exchange quantity consistency check	commit \| commitdiff \| tree \| snapshot
2011-03-21	Rossen Apostolov	New maintenance release: 4.5.4	commit \| commitdiff \| tree \| snapshot
2011-03-21	Sander Pronk	The -version flag now prints more information.	commit \| commitdiff \| tree \| snapshot
2011-03-21	Erik Marklund	Fixed warning arising from gmx_hbond.c	commit \| commitdiff \| tree \| snapshot
2011-03-21	Rossen Apostolov	Fixed more real/double issues in gmx_density	commit \| commitdiff \| tree \| snapshot
2011-03-21	Rossen Apostolov	Removed duplicated EXTRA_DIST entry in src/tools/Makefi...	commit \| commitdiff \| tree \| snapshot
2011-03-21	Rossen Apostolov	Added back Template.mak.	commit \| commitdiff \| tree \| snapshot
2011-03-21	Sander Pronk	Fixed real/double issue in gmx_density	commit \| commitdiff \| tree \| snapshot
2011-03-21	Rossen Apostolov	Removed some template files from installation.	commit \| commitdiff \| tree \| snapshot
2011-03-17	Sander Pronk	Various fixes for Windows builds.	commit \| commitdiff \| tree \| snapshot
2011-03-16	Justin Lemkul	Made g_sgangle fatal error a bit more verbose.	commit \| commitdiff \| tree \| snapshot
2011-03-16	Sander Pronk	mdrun -multi, multidir and replica exchange now exchang...	commit \| commitdiff \| tree \| snapshot
2011-03-15	Sander Pronk	Multisim simulations now all stop when the first one...	commit \| commitdiff \| tree \| snapshot
2011-03-14	Rossen Apostolov	g_options source files are now properly packaged	commit \| commitdiff \| tree \| snapshot
2011-03-14	Berk Hess	fixed bd with bd_fric>0 making all coordinates 0	commit \| commitdiff \| tree \| snapshot
2011-03-14	Berk Hess	fixed precision of g_traj -com for large groups	commit \| commitdiff \| tree \| snapshot
2011-03-11	Sander Pronk	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2011-03-11	Berk Hess	add pdb2gmx check for multiple .ff directories	commit \| commitdiff \| tree \| snapshot
2011-03-11	Berk Hess	fixed memory error in element setting in pdbio	commit \| commitdiff \| tree \| snapshot
2011-03-11	Berk Hess	added histidine names for gen_vsite, fixes 706	commit \| commitdiff \| tree \| snapshot
2011-03-10	Sander Pronk	More allocation fixes for NUMA allocator.	commit \| commitdiff \| tree \| snapshot
2011-03-10	Sander Pronk	Added documentation for multidir.	commit \| commitdiff \| tree \| snapshot
2011-03-10	Sander Pronk	Added more support for multidir.	commit \| commitdiff \| tree \| snapshot
2011-03-10	Maarten Wolf	g_membed bug #697 fix. Remove empty molblocks due to	commit \| commitdiff \| tree \| snapshot
2011-03-08	Mark Abraham	Added grompp note about avoiding zero-step EM	commit \| commitdiff \| tree \| snapshot
2011-03-07	Berk Hess	removed global #atoms allocation for empty DD cells	commit \| commitdiff \| tree \| snapshot
2011-03-07	Berk Hess	removed a global #atoms alloc in mdrun initialization	commit \| commitdiff \| tree \| snapshot
2011-03-05	David van der...	Merge branch 'release-4-5-patches' of git@git.gromacs...	commit \| commitdiff \| tree \| snapshot
2011-03-05	David van der...	Fixed SEGV in eneconv when using the -e flag.	commit \| commitdiff \| tree \| snapshot
2011-03-03	Sander Pronk	Replaced strdups with gmx_strdups so that they can...	commit \| commitdiff \| tree \| snapshot
2011-03-03	Berk Hess	made the g_density accumulation double precision	commit \| commitdiff \| tree \| snapshot
2011-03-03	Christoph Junghans	fixed a typo in cmake pkg-config files	commit \| commitdiff \| tree \| snapshot
2011-03-03	Carsten Kutzner	Fixed wrong error message when using flooding code...	commit \| commitdiff \| tree \| snapshot
2011-03-01	Justin Lemkul	Small fixes to g_dielectric description to improve...	commit \| commitdiff \| tree \| snapshot
2011-03-01	Carsten Kutzner	Fixed bug #714: deprecated structure in gettimeofday	commit \| commitdiff \| tree \| snapshot
2011-02-26	Justin Lemkul	Another typo.	commit \| commitdiff \| tree \| snapshot
2011-02-26	Justin Lemkul	Fixed some typos in mdp_opt.html	commit \| commitdiff \| tree \| snapshot
2011-02-25	Justin Lemkul	Fixed typo in citation.	commit \| commitdiff \| tree \| snapshot
2011-02-25	Carsten Kutzner	Corrected output of a warning message.	commit \| commitdiff \| tree \| snapshot
2011-02-25	Carsten Kutzner	Added the -fix option to g_tune_pme for tuning of rcoul...	commit \| commitdiff \| tree \| snapshot
2011-02-24	Berk Hess	also renamed options to g_options in Makefile.am	commit \| commitdiff \| tree \| snapshot
2011-02-24	Berk Hess	added missing density factor to cosaccel 1/viscosity...	commit \| commitdiff \| tree \| snapshot
2011-02-24	Berk Hess	pdb model numbers now start at 1	commit \| commitdiff \| tree \| snapshot
2011-02-23	Szilard Pall	added cmake warning when the cache generated on another...	commit \| commitdiff \| tree \| snapshot
2011-02-23	Berk Hess	fixed incorrect virial and pressure averages	commit \| commitdiff \| tree \| snapshot
2011-02-21	Berk Hess	added support for harmonic potential (bond type 7)...	commit \| commitdiff \| tree \| snapshot
2011-02-21	Berk Hess	made maximum load balancing tunable with env.var. GMX_D...	commit \| commitdiff \| tree \| snapshot
2011-02-20	Berk Hess	fixed dynamic load balancing inactive with -gcom and...	commit \| commitdiff \| tree \| snapshot
2011-02-20	Berk Hess	added some debug prints to gmxcpp.c	commit \| commitdiff \| tree \| snapshot
2011-02-20	Sander Pronk	Minor fix for when write_dhdl_file=false and delta_lamb...	commit \| commitdiff \| tree \| snapshot
2011-02-16	Carsten Kutzner	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2011-02-16	Carsten Kutzner	Fixed int overflow happening in genion when number...	commit \| commitdiff \| tree \| snapshot
2011-02-16	Teemu Murtola	Fixed a rare bug in selection position handling.	commit \| commitdiff \| tree \| snapshot
2011-02-16	Justin Lemkul	Add -tu option to g_hbond.	commit \| commitdiff \| tree \| snapshot
2011-02-16	Mark Abraham	Clarified source of g_rmsf reference frame	commit \| commitdiff \| tree \| snapshot
2011-02-15	Justin Lemkul	Small fix to improve xpm2ps output	commit \| commitdiff \| tree \| snapshot
2011-02-13	Mark Abraham	Added workaround for F_GB13 duplicates	commit \| commitdiff \| tree \| snapshot
2011-02-13	Mark Abraham	Fixed erroneous floating-point comparison	commit \| commitdiff \| tree \| snapshot
2011-02-12	Mark Abraham	Added note about doing repeat invocations of genbox	commit \| commitdiff \| tree \| snapshot
2011-02-11	Szilard Pall	fixed buggy detection of hostname and time of build...	commit \| commitdiff \| tree \| snapshot
2011-02-11	Mark Abraham	Removed ancient CVS tag lines	commit \| commitdiff \| tree \| snapshot
2011-02-11	Mark Abraham	Used some spacing to make code readable	commit \| commitdiff \| tree \| snapshot
2011-02-11	Mark Abraham	Used symbolic constant more consistently	commit \| commitdiff \| tree \| snapshot
2011-02-11	Mark Abraham	Made the "multiple settles" fatal error more helpful	commit \| commitdiff \| tree \| snapshot
2011-02-10	Sander Pronk	Fixed a bug in g_energy -odh	commit \| commitdiff \| tree \| snapshot
2011-02-04	Roland Schulz	using set_mm_ps to make pgi happy	commit \| commitdiff \| tree \| snapshot
2011-02-03	Justin Lemkul	Fixed a typo.	commit \| commitdiff \| tree \| snapshot
2011-02-02	Mark Abraham	Fixed minor issue with replica exchange	commit \| commitdiff \| tree \| snapshot
2011-01-30	Erik Lindahl	Improved PBC handling for large molecules during cluste...	commit \| commitdiff \| tree \| snapshot
2011-01-30	Erik Lindahl	Fixed the pbc cluster option of trjconv by switching...	commit \| commitdiff \| tree \| snapshot
2011-01-29	David van der...	Merge branch 'release-4-5-patches' of git@git.gromacs...	commit \| commitdiff \| tree \| snapshot
2011-01-29	David van der...	Added code in g_nmeig to compute the quantum correction...	commit \| commitdiff \| tree \| snapshot
2011-01-28	Mark Abraham	Added forgotten file	commit \| commitdiff \| tree \| snapshot
2011-01-28	Mark Abraham	Turned g_options into a normal GROMACS tool	commit \| commitdiff \| tree \| snapshot
2011-01-28	Mark Abraham	Renamed src/tools/options.c	commit \| commitdiff \| tree \| snapshot
2011-01-28	Mark Abraham	Improved grompp documentation	commit \| commitdiff \| tree \| snapshot
2011-01-26	David van der...	Merge branch 'release-4-5-patches' of git@git.gromacs...	commit \| commitdiff \| tree \| snapshot
2011-01-25	Mark Abraham	Improved genion -h	commit \| commitdiff \| tree \| snapshot
2011-01-25	Mark Abraham	Relocated some t_matrix documentation	commit \| commitdiff \| tree \| snapshot
2011-01-25	Mark Abraham	Improved do_dssp -ssdump output	commit \| commitdiff \| tree \| snapshot
2011-01-25	Mark Abraham	Improved do_dssp -sc output	commit \| commitdiff \| tree \| snapshot
2011-01-24	Justin Lemkul	Various small changes to the man pages.	commit \| commitdiff \| tree \| snapshot
2011-01-23	Justin Lemkul	Small fix for editconf related to formatting consistency.	commit \| commitdiff \| tree \| snapshot
2011-01-23	Mark Abraham	Remove g_highway from list of programs	commit \| commitdiff \| tree \| snapshot
2011-01-23	Mark Abraham	Improved conversion of documentation to LaTeX	commit \| commitdiff \| tree \| snapshot
2011-01-23	Mark Abraham	Improved consistency of text style usage	commit \| commitdiff \| tree \| snapshot
2011-01-23	Mark Abraham	Minor wording fixes	commit \| commitdiff \| tree \| snapshot
2011-01-23	Mark Abraham	Moved options.c to tools subdir	commit \| commitdiff \| tree \| snapshot
2011-01-23	Mark Abraham	cmake: added back gsl support (GMX_GSL, disabled by...	commit \| commitdiff \| tree \| snapshot
2011-01-23	Christoph Junghans	cmake: added GMX_XML to fully disable xml support	commit \| commitdiff \| tree \| snapshot
2011-01-23	Christoph Junghans	cmake: add support for external blas/lapack	commit \| commitdiff \| tree \| snapshot
2011-01-22	David van der...	Fixed bug 678 which was due to calling gmx_fatal withou...	commit \| commitdiff \| tree \| snapshot
next

Local GROMACS mirror with custom stuff

RSS Atom