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

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

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
2011-01-21	Justin Lemkul	Added g_pme_error to programs.txt	commit \| commitdiff \| tree \| snapshot
2011-01-21	Justin Lemkul	More minor formatting/editorial fixes for the manual.	commit \| commitdiff \| tree \| snapshot
2011-01-20	Mark Abraham	Added NHE to OPLS/AA pdb2gmx hydrogen database	commit \| commitdiff \| tree \| snapshot
2011-01-20	Mark Abraham	Made gmxdump error message clearer.	commit \| commitdiff \| tree \| snapshot
2011-01-19	Justin Lemkul	Fixes to g_wham documentation.	commit \| commitdiff \| tree \| snapshot
2011-01-19	Justin Lemkul	Tons of tiny changes to documentation. Manual looks...	commit \| commitdiff \| tree \| snapshot
2011-01-19	Justin Lemkul	Trivial fixes to program descriptions.	commit \| commitdiff \| tree \| snapshot
2011-01-18	Justin Lemkul	Fixes to the demo script.	commit \| commitdiff \| tree \| snapshot
2011-01-18	Mark Abraham	Improved .mdp file comment about the 'define' field	commit \| commitdiff \| tree \| snapshot
2011-01-17	Justin Lemkul	Fixes to methanol and mixed demos. Issue ID #669	commit \| commitdiff \| tree \| snapshot
2011-01-17	Justin Lemkul	Removed non-existent program and redundant information...	commit \| commitdiff \| tree \| snapshot
2011-01-17	Berk Hess	fixed incorrect parameter declarations in gmx_fft_fftw2.c	commit \| commitdiff \| tree \| snapshot
2011-01-17	Justin Lemkul	Various editorial and formatting fixes	commit \| commitdiff \| tree \| snapshot
2011-01-17	Mark Abraham	Fix Angstrom <=> nm error in documentation	commit \| commitdiff \| tree \| snapshot
2011-01-14	Justin Lemkul	Fixes to grompp -maxwarn documentation. Issue ID #627	commit \| commitdiff \| tree \| snapshot
2011-01-13	Mark Abraham	Made src/kernel/repl_ex.c legible	commit \| commitdiff \| tree \| snapshot
2011-01-10	Berk Hess	fixed zero viscosity energy/log file output with cos_ac...	commit \| commitdiff \| tree \| snapshot
2011-01-07	Mark Abraham	Added note that g_msd -mol does treat PBC (by making...	commit \| commitdiff \| tree \| snapshot
2011-01-07	Mark Abraham	Implemented effective test for MPI_IN_PLACE, thanks...	commit \| commitdiff \| tree \| snapshot
2011-01-06	Mark Abraham	Stop CMake defaulting to turning off compiler warnings...	commit \| commitdiff \| tree \| snapshot
2011-01-04	ckutzne	Fixed inconvenient output file names if -sep is used...	commit \| commitdiff \| tree \| snapshot
2011-01-04	Berk Hess	fixed grompp looking for include files in double relati...	commit \| commitdiff \| tree \| snapshot
2010-12-26	David van der...	Merge branch 'release-4-5-patches' of git@git.gromacs...	commit \| commitdiff \| tree \| snapshot
2010-12-25	David van der...	Added warning in g_dipoles	commit \| commitdiff \| tree \| snapshot
2010-12-23	David van der...	Fixed bug in statistics which did not allow fitting...	commit \| commitdiff \| tree \| snapshot
2010-12-22	Berk Hess	removed incorrect citation print of Engin2010 for pull...	commit \| commitdiff \| tree \| snapshot
2010-12-21	Berk Hess	pme.c work-around for MPI fatal error in pme with partt...	commit \| commitdiff \| tree \| snapshot
2010-12-16	Berk Hess	fixed incorrect LJ table in mdrun with reppow!=12	commit \| commitdiff \| tree \| snapshot
2010-12-16	Berk Hess	removed editconf warning on box distance with -bt	commit \| commitdiff \| tree \| snapshot
2010-12-13	Berk Hess	fixed tpbconv time options leading to negative nsteps...	commit \| commitdiff \| tree \| snapshot
2010-12-11	David van der...	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-12-11	David van der...	Added 1 quote.	commit \| commitdiff \| tree \| snapshot
2010-12-10	Pär Bjelkmar	Added CHARMM neutral lysine, LYN, to residuetypes.dat.	commit \| commitdiff \| tree \| snapshot
2010-12-10	Christoph Junghans	Fixed wrong path ordering in GMX.bash introduced in...	commit \| commitdiff \| tree \| snapshot
2010-12-09	David van der...	Added fatal error for when people use energy files...	commit \| commitdiff \| tree \| snapshot
2010-12-06	Mark Abraham	Added comments and workaround for IBM's BlueGene(/L...	commit \| commitdiff \| tree \| snapshot
2010-12-02	ckutzne	Fixed typo.	commit \| commitdiff \| tree \| snapshot
2010-11-29	Christoph Junghans	GMXRC.* - fixed bug #614	commit \| commitdiff \| tree \| snapshot
2010-11-29	Christoph Junghans	added power6 flags from Markus Rampp	commit \| commitdiff \| tree \| snapshot
2010-11-28	David van der...	Fixed bugzilla 616 about formatting in the help text.	commit \| commitdiff \| tree \| snapshot
2010-11-26	David van der...	Fixed SEGV bug in g_sham.	commit \| commitdiff \| tree \| snapshot
2010-11-24	Berk Hess	fixed segv in grompp due to gmxcpp not checking for...	commit \| commitdiff \| tree \| snapshot
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