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

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

2011-02-17	Carsten Kutzner	Enforced rotation: fix compiler warning	commit \| commitdiff \| tree \| snapshot
2011-02-16	Carsten Kutzner	Merge branch 'release-4-5-patches'	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	Merge branch 'release-4-5-patches'	commit \| commitdiff \| tree \| snapshot
2011-02-16	Teemu Murtola	Fixed a rare bug in selection position handling.	commit \| commitdiff \| tree \| snapshot
2011-02-16	Teemu Murtola	Added selection unit tests for most keywords.	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	Christoph Junghans	unite GMXRC.zsh with GMXRC.bash	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
2011-02-09	Teemu Murtola	Simpler memory semantics for analysis runner.	commit \| commitdiff \| tree \| snapshot
2011-02-08	Teemu Murtola	Converted rest of selection unit tests.	commit \| commitdiff \| tree \| snapshot
2011-02-07	Teemu Murtola	Added selection unit tests using new framework.	commit \| commitdiff \| tree \| snapshot
2011-02-07	Teemu Murtola	Added test framework for reference runs.	commit \| commitdiff \| tree \| snapshot
2011-02-07	Teemu Murtola	Added functions for path and dir manipulation.	commit \| commitdiff \| tree \| snapshot
2011-02-04	Roland Schulz	using set_mm_ps to make pgi happy	commit \| commitdiff \| tree \| snapshot
2011-02-03	Christoph Junghans	Merge branch 'release-4-5-patches'	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
2011-02-01	Roland Schulz	Merge remote branch 'origin/release-4-5-patches'	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	Christoph Junghans	Merge branch 'release-4-5-patches'	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	Teemu Murtola	Removed most autoconf-related files.	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	Christoph Junghans	cmake: added back gsl support (GMX_GSL, disabled by...	commit \| commitdiff \| tree \| snapshot
2011-01-22	Christoph Junghans	cmake: added GMX_XML to fully disable xml support	commit \| commitdiff \| tree \| snapshot
2011-01-22	Christoph Junghans	cmake: add support for external blas/lapack	commit \| commitdiff \| tree \| snapshot
2011-01-22	Teemu Murtola	Added documentation for the C++ analysis template.	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
2011-01-22	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	Christoph Junghans	add g_options to runtime components	commit \| commitdiff \| tree \| snapshot
2011-01-20	Christoph Junghans	fixed cmake build of ngmx	commit \| commitdiff \| tree \| snapshot
2011-01-20	Christoph Junghans	added g_options, needed for the manual, to cmake build	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	Teemu Murtola	Make default option values more flexible.	commit \| commitdiff \| tree \| snapshot
2011-01-19	Justin Lemkul	Trivial fixes to program descriptions.	commit \| commitdiff \| tree \| snapshot
2011-01-19	Christoph Junghans	fixed libgromacs pkg-config file	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	Teemu Murtola	Added common unit testing utilities.	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	Teemu Murtola	Improved Doxygen docs for trajectoryanalysis/.	commit \| commitdiff \| tree \| snapshot
2011-01-14	Justin Lemkul	Fixes to grompp -maxwarn documentation. Issue ID #627	commit \| commitdiff \| tree \| snapshot
2011-01-13	Carsten Kutzner	Enforced rotation: added fit type 'potential'	commit \| commitdiff \| tree \| snapshot
2011-01-13	Mark Abraham	Made src/kernel/repl_ex.c legible	commit \| commitdiff \| tree \| snapshot
2011-01-12	Teemu Murtola	Added Doxygen support for limited documentation.	commit \| commitdiff \| tree \| snapshot
2011-01-10	Teemu Murtola	Added a C++ template for analysis tools.	commit \| commitdiff \| tree \| snapshot
2011-01-10	Berk Hess	fixed zero viscosity energy/log file output with cos_ac...	commit \| commitdiff \| tree \| snapshot
2011-01-09	Teemu Murtola	Moved protonate and tpbconv to src/programs/.	commit \| commitdiff \| tree \| snapshot
2011-01-09	Teemu Murtola	Removed libgmxpreprocess from CMake.	commit \| commitdiff \| tree \| snapshot
2011-01-09	Teemu Murtola	Moved x2top, gmxcheck and gmxdump to src/programs/.	commit \| commitdiff \| tree \| snapshot
2011-01-09	Teemu Murtola	Moved pdb2gmx from src/kernel/ to src/programs/pdb2gmx/.	commit \| commitdiff \| tree \| snapshot
2011-01-09	Teemu Murtola	Moved grompp from src/kernel/ to src/programs/grompp/.	commit \| commitdiff \| tree \| snapshot
2011-01-09	Teemu Murtola	Moved mdrun from src/kernel/ to src/programs/mdrun/.	commit \| commitdiff \| tree \| snapshot
2011-01-09	Teemu Murtola	Added basic Doxygen support for CMake.	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	Carsten Kutzner	Merge branch 'release-4-5-patches'	commit \| commitdiff \| tree \| snapshot
2011-01-04	ckutzne	Fixed inconvenient output file names if -sep is used...	commit \| commitdiff \| tree \| snapshot
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