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

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

2010-09-13	Rossen Apostolov	Added dependencies for openmm_api_wrapper	commit \| commitdiff \| tree \| snapshot
2010-09-13	Rossen Apostolov	Added library dependency for gmx_gpu_utils	commit \| commitdiff \| tree \| snapshot
2010-09-13	Berk Hess	fixed grompp -t frame choice for trajectories with...	commit \| commitdiff \| tree \| snapshot
2010-09-13	Berk Hess	state switches between the cpt and tpr file in mdrun...	commit \| commitdiff \| tree \| snapshot
2010-09-13	Berk Hess	added check and warning for no velocities in grompp...	commit \| commitdiff \| tree \| snapshot
2010-09-12	David van der...	Fixed demo to work with new pdb2gmx that requires two...	commit \| commitdiff \| tree \| snapshot
2010-09-10	Berk Hess	turned on checkpointing with nstlist=0	commit \| commitdiff \| tree \| snapshot
2010-09-10	Berk Hess	removed the lower bound check on test particle insertio...	commit \| commitdiff \| tree \| snapshot
2010-09-10	Berk Hess	removed tip5p from charmm27.ff/watermodels.dat, since...	commit \| commitdiff \| tree \| snapshot
2010-09-10	Berk Hess	made sure the energy history from a checkpoint file...	commit \| commitdiff \| tree \| snapshot
2010-09-10	Teemu Murtola	CMake documentation improvements (bug #539).	commit \| commitdiff \| tree \| snapshot
2010-09-09	Mark Abraham	Added TIP5p to CHARMM forcefield by analogy with AMBER0...	commit \| commitdiff \| tree \| snapshot
2010-09-09	Mark Abraham	Spelling fix	commit \| commitdiff \| tree \| snapshot
2010-09-09	Sander Pronk	Fixed a deadlock while closing files.	commit \| commitdiff \| tree \| snapshot
2010-09-09	Berk Hess	added SSE overflow check for TPI	commit \| commitdiff \| tree \| snapshot
2010-09-09	Berk Hess	the force tables are now continued linearly from nearly...	commit \| commitdiff \| tree \| snapshot
2010-09-09	Sander Pronk	Fixed segv in trajana due to wrong cell index calculation.	commit \| commitdiff \| tree \| snapshot
2010-09-09	Gerrit Groenhof	added environment variable to run orca in parallel	commit \| commitdiff \| tree \| snapshot
2010-09-08	Sander Pronk	Fixed segv while reading overly long lines in xvgr.c	commit \| commitdiff \| tree \| snapshot
2010-09-08	hess	mdrun now also generates a fatal error for nnodes with...	commit \| commitdiff \| tree \| snapshot
2010-09-08	Szilard Pall	Fixed binary/lib suffixing inconsistencies (bug 539)	commit \| commitdiff \| tree \| snapshot
2010-09-08	Berk Hess	improved the automatic choice of the number of PME...	commit \| commitdiff \| tree \| snapshot
2010-09-08	Per Larsson	Fixed atomtype H0 for GBSA in amber03	commit \| commitdiff \| tree \| snapshot
2010-09-08	Berk Hess	added MCH3S atom type for Charmm for virtual sites...	commit \| commitdiff \| tree \| snapshot
2010-09-08	Mark Abraham	Added note to g_covar about memory costs and managing...	commit \| commitdiff \| tree \| snapshot
2010-09-07	Berk Hess	changed the order of the outer loops in the fft5d trans...	commit \| commitdiff \| tree \| snapshot
2010-09-07	Berk Hess	removed empty edr and xtc files with nm	commit \| commitdiff \| tree \| snapshot
2010-09-07	Berk Hess	removed (nan) average printing with normal modes	commit \| commitdiff \| tree \| snapshot
2010-09-07	Berk Hess	fixed crash with parallel nm with cut-off's	commit \| commitdiff \| tree \| snapshot
2010-09-07	Szilard Pall	fixed warnings caused by some uninitialized variables	commit \| commitdiff \| tree \| snapshot
2010-09-07	Sander Pronk	Fixed segfault in g_bar with unequally distributed...	commit \| commitdiff \| tree \| snapshot
2010-09-06	Szilard Pall	Mark advanced variables/options that are not relevant...	commit \| commitdiff \| tree \| snapshot
2010-09-06	Szilard Pall	Mark advanced GMX_BINARY_SUFFIX and GMX_LIBS_SUFFIX...	commit \| commitdiff \| tree \| snapshot
2010-09-06	Rossen Apostolov	Added a note that running in double precision is slower.	commit \| commitdiff \| tree \| snapshot
2010-09-06	Rossen Apostolov	A lot of CMake options are now marked as advanced since...	commit \| commitdiff \| tree \| snapshot
2010-09-06	Sander Pronk	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-09-06	Sander Pronk	Fixed reading of older .xvg file formats in g_bar	commit \| commitdiff \| tree \| snapshot
2010-09-06	Teemu Murtola	Improved package version handling in CMake.	commit \| commitdiff \| tree \| snapshot
2010-09-06	Sander Pronk	Fixed misinterpretation of -b and -e in g_bar.	commit \| commitdiff \| tree \| snapshot
2010-09-03	Sander Pronk	Added missing windows thread files to distribution...	commit \| commitdiff \| tree \| snapshot
2010-09-02	Rossen Apostolov	Another missing CMake file.	commit \| commitdiff \| tree \| snapshot
2010-09-02	Rossen Apostolov	Updated the version numbers to 4.5.1.	commit \| commitdiff \| tree \| snapshot
2010-09-02	Rossen Apostolov	Added for distribution missing CMake specific files.	commit \| commitdiff \| tree \| snapshot
2010-09-02	Mark Abraham	Fix spelling error	commit \| commitdiff \| tree \| snapshot
2010-09-01	Rossen Apostolov	New release: 4.5 (final). Yay!!!	commit \| commitdiff \| tree \| snapshot
2010-09-01	Erik Lindahl	Removed lots of unnecessary messages to stdout from...	commit \| commitdiff \| tree \| snapshot
2010-09-01	Erik Lindahl	Added Gerrit to the list of authors. Sorry for forgetti...	commit \| commitdiff \| tree \| snapshot
2010-09-01	Rossen Apostolov	Added g_rmsdist and g_rotmat to the CMake build system	commit \| commitdiff \| tree \| snapshot
2010-09-01	Sander Pronk	Shared libraries off by default on Windows.	commit \| commitdiff \| tree \| snapshot
2010-09-01	Carsten Kutzner	Fixed make_edi when no fitting was done in g_covar	commit \| commitdiff \| tree \| snapshot
2010-09-01	Sander Pronk	Added support for PGI atomics in thread_mpi.	commit \| commitdiff \| tree \| snapshot
2010-09-01	Szilard Pall	Updated list of supported GPUs	commit \| commitdiff \| tree \| snapshot
2010-09-01	Mark Abraham	Formatting fixes to documentation	commit \| commitdiff \| tree \| snapshot
2010-09-01	Sander Pronk	Final thread_mpi fixes (ppc works, no deadlocks on...	commit \| commitdiff \| tree \| snapshot
2010-09-01	Mark Abraham	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-09-01	Mark Abraham	make_opt.html now doesn't use <h4>, rather it uses...	commit \| commitdiff \| tree \| snapshot
2010-09-01	Mark Abraham	General fixes	commit \| commitdiff \| tree \| snapshot
2010-09-01	Rossen Apostolov	Small update of the GPU related documentation.	commit \| commitdiff \| tree \| snapshot
2010-09-01	Sander Pronk	Code reorg in thread_mpi	commit \| commitdiff \| tree \| snapshot
2010-09-01	hess	cleaner implementation of close_nblist with comments...	commit \| commitdiff \| tree \| snapshot
2010-09-01	Rossen Apostolov	Small update of the GPU related documentation.	commit \| commitdiff \| tree \| snapshot
2010-09-01	Rossen Apostolov	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-09-01	Sander Pronk	Code reorg in thread_mpi	commit \| commitdiff \| tree \| snapshot
2010-09-01	Rossen Apostolov	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-31	Erik Lindahl	Made the options program for the latex manual compile...	commit \| commitdiff \| tree \| snapshot
2010-08-31	Erik Lindahl	Fixed typo in src/contrib/Makefile.am	commit \| commitdiff \| tree \| snapshot
2010-08-31	Rossen Apostolov	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-31	Erik Lindahl	Fixed incorrect call to gmx_finalize() in gmx_pme_error()	commit \| commitdiff \| tree \| snapshot
2010-08-31	Erik Lindahl	Added final newline to avoid compiler warning in sfactor.h	commit \| commitdiff \| tree \| snapshot
2010-08-31	Rossen Apostolov	OpenMM now accepts cut-off method, since it's needed...	commit \| commitdiff \| tree \| snapshot
2010-08-31	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-31	Erik Lindahl	Added Cpack support	commit \| commitdiff \| tree \| snapshot
2010-08-31	Sander Pronk	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-31	Sander Pronk	Fixed memory ordering issue on ppc with gcc&xlc.	commit \| commitdiff \| tree \| snapshot
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
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