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

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

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
2010-12-23	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
2010-11-24	Christoph Junghans	configure: build shared libs unless mpi enabled (bug...	commit \| commitdiff \| tree \| snapshot
2010-11-22	Mark Abraham	Added a hint to the documentation for creating .tpr...	commit \| commitdiff \| tree \| snapshot
2010-11-19	Sander Pronk	Fixed TMPI_WAIT_FOR_NO_ONE deadlock.	commit \| commitdiff \| tree \| snapshot
2010-11-18	David van der...	Made printing in check_multi_init conditional, dependin...	commit \| commitdiff \| tree \| snapshot
2010-11-12	Mark Abraham	Minor trjconv documentation formatting fix	commit \| commitdiff \| tree \| snapshot
2010-11-12	Mark Abraham	g_densmap -od writes a .dat file and prevents writing...	commit \| commitdiff \| tree \| snapshot
2010-11-09	Rossen Apostolov	New maintanance release: 4.5.3	commit \| commitdiff \| tree \| snapshot
2010-11-09	Berk Hess	added -resnr option to editconf	commit \| commitdiff \| tree \| snapshot
2010-11-09	Mark Abraham	GMX_POWERPC_INVSQRT should be OFF in CMakeLists.txt...	commit \| commitdiff \| tree \| snapshot
2010-11-09	Berk Hess	fixed compiler warning in pdb2gmx.c	commit \| commitdiff \| tree \| snapshot
2010-11-08	Rossen Apostolov	Reverting back GMX_DLOPEN to default ON	commit \| commitdiff \| tree \| snapshot
2010-11-08	Roland Schulz	making error message for vmdio clearer (bug 598)	commit \| commitdiff \| tree \| snapshot
2010-11-08	Pär Bjelkmar	Deleted redundant charmm27.ff/dna.r2b.	commit \| commitdiff \| tree \| snapshot
2010-11-08	Rossen Apostolov	Disable GMX_DLOPEN by default.	commit \| commitdiff \| tree \| snapshot
2010-11-08	Rossen Apostolov	Added support for Altivec kernels on POWERPC.	commit \| commitdiff \| tree \| snapshot
2010-11-08	Szilard Pall	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-11-07	Mark Abraham	Made mdrun exit with a fatal error for EM or NM with...	commit \| commitdiff \| tree \| snapshot
2010-11-06	Mark Abraham	Fixed .xvg legends for g_sas options -or and -oa	commit \| commitdiff \| tree \| snapshot
2010-11-05	Szilard Pall	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-11-05	Pär Bjelkmar	More atom-based charge groups in CHARMM (termini and...	commit \| commitdiff \| tree \| snapshot
2010-11-05	Berk Hess	pdb2gmx now puts atoms with cgnr=-1 in separate charge...	commit \| commitdiff \| tree \| snapshot
2010-11-04	Roland Schulz	print more information in case of lock error	commit \| commitdiff \| tree \| snapshot
2010-11-04	Berk Hess	Fixed md.log being opened twice when appending, which...	commit \| commitdiff \| tree \| snapshot
2010-11-04	hess	added GB params for charmm MCH3S	commit \| commitdiff \| tree \| snapshot
2010-11-04	hess	clarified GB parameter error messages in grompp	commit \| commitdiff \| tree \| snapshot
2010-11-03	Szilard Pall	now it's possible to run binaries in the build tree...	commit \| commitdiff \| tree \| snapshot
2010-11-02	Berk Hess	fixed incorrect print in fatal error on charge group...	commit \| commitdiff \| tree \| snapshot
2010-11-02	Berk Hess	proper defined of MAX_CHARGEGROUP_SIZE=32 in a single...	commit \| commitdiff \| tree \| snapshot
2010-11-02	David van der...	Fixed bug 608 by throwing a fatal error in grompp.	commit \| commitdiff \| tree \| snapshot
2010-11-02	Sander Pronk	Fixed double precision energy file reading + box matrix...	commit \| commitdiff \| tree \| snapshot
2010-11-02	hess	fixed incorrect y result in mvmul_ur0, only used in...	commit \| commitdiff \| tree \| snapshot
2010-10-30	Rossen Apostolov	Added back the "-dev" suffixes to the version strings.	commit \| commitdiff \| tree \| snapshot
2010-10-30	Rossen Apostolov	New bugfix release: 4.5.2	commit \| commitdiff \| tree \| snapshot
2010-10-30	Rossen Apostolov	For MPI builds, CMake will first try to compile a sampl...	commit \| commitdiff \| tree \| snapshot
2010-10-30	Sander Pronk	Added Windows macro for snprintf.	commit \| commitdiff \| tree \| snapshot
2010-10-29	Rossen Apostolov	added g_kinetics to the CMake build scripts	commit \| commitdiff \| tree \| snapshot
2010-10-29	Szilard Pall	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-10-29	Szilard Pall	enabled GMX_PREFER_STATIC_LIBS CMake option for CYGWIN	commit \| commitdiff \| tree \| snapshot
2010-10-29	Carsten Kutzner	Fixed segv in gmx_hbond	commit \| commitdiff \| tree \| snapshot
2010-10-29	Szilard Pall	fixed the default for OpenMM plugin dir location (bug...	commit \| commitdiff \| tree \| snapshot
2010-10-29	Szilard Pall	fixed make install-mdrun issue (bug #605)	commit \| commitdiff \| tree \| snapshot
2010-10-29	Szilard Pall	(re)added "-dev" suffix for the CMake hardcoded version...	commit \| commitdiff \| tree \| snapshot
2010-10-29	Szilard Pall	added CMake option GMX_PREFER_STATIC_LIBS (also fixes...	commit \| commitdiff \| tree \| snapshot
2010-10-28	David van der...	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-10-28	Per Larsson	Fixed a bug in the all-vs-all sse gb kernels, where...	commit \| commitdiff \| tree \| snapshot
2010-10-28	Berk Hess	added HEM to HEME renaming for Gromos and Charmm ff's	commit \| commitdiff \| tree \| snapshot
2010-10-28	Berk Hess	fixed pdb2gmx chain merging bug (bugzilla 544)	commit \| commitdiff \| tree \| snapshot
2010-10-27	hess	changed fftw2_empty to fftw3_empty in gmx_fft_fftw3.c	commit \| commitdiff \| tree \| snapshot
2010-10-26	Berk Hess	fixed cycle print type cast issue on certain platforms...	commit \| commitdiff \| tree \| snapshot
2010-10-24	Mark Abraham	Don't sprintf variable-sized input into fixed-size...	commit \| commitdiff \| tree \| snapshot
2010-10-22	Mark Abraham	Re-enabled for BlueGene/L an optimization in the BG...	commit \| commitdiff \| tree \| snapshot
2010-10-22	Mark Abraham	Rearranged cmake+BlueGene solution to have the same...	commit \| commitdiff \| tree \| snapshot
2010-10-22	Mark Abraham	Made GMX_POWERPC_INVSQRT work properly on Power6 and...	commit \| commitdiff \| tree \| snapshot
2010-10-22	Mark Abraham	Power6 FORTRAN kernels do not work on PPC440 or PPC450...	commit \| commitdiff \| tree \| snapshot
2010-10-22	Mark Abraham	Fixing a trivial mangle introduced in b5d842ff1d94174b6...	commit \| commitdiff \| tree \| snapshot
2010-10-22	Carsten Kutzner	Fixed segv in g_potential. Field output has now also...	commit \| commitdiff \| tree \| snapshot
2010-10-22	Per Larsson	Added a check in grompp for the case with particles...	commit \| commitdiff \| tree \| snapshot
2010-10-21	Berk Hess	clarified make_ndx error message	commit \| commitdiff \| tree \| snapshot
2010-10-20	Mark Abraham	Fixed cmake to work with BlueGene/L. This fix does...	commit \| commitdiff \| tree \| snapshot
2010-10-20	Sander Pronk	file reading error messages in g_bar less confusing.	commit \| commitdiff \| tree \| snapshot
2010-10-20	Per Larsson	Removed code for calculating logarithms using a table	commit \| commitdiff \| tree \| snapshot
2010-10-19	Berk Hess	changed enxio warning into fatal errors by default...	commit \| commitdiff \| tree \| snapshot
2010-10-19	Per Larsson	Fixed a compiler warning introduced by commit 9ccc786e4...	commit \| commitdiff \| tree \| snapshot
2010-10-19	Per Larsson	Replaced _mm_castsi128_pd with gmx_mm_castsi128_pd...	commit \| commitdiff \| tree \| snapshot
2010-10-18	Per Larsson	Double precision GB energies are now summed corrently...	commit \| commitdiff \| tree \| snapshot
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