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

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

2010-12-02	Carsten Kutzner	Merge branch 'release-4-5-patches'	commit \| commitdiff \| tree \| snapshot
2010-12-02	ckutzne	Fixed typo.	commit \| commitdiff \| tree \| snapshot
2010-11-30	Carsten Kutzner	Merge branch 'master' of git.gromacs.org:gromacs	commit \| commitdiff \| tree \| snapshot
2010-11-30	ckutzne	Proper appending with enforced rotation output files.	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...	Merge branch 'release-4-5-patches'	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
2010-11-26	Carsten Kutzner	Enforced rotation: fixed torque calculation for FLEX...	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
2010-11-23	Carsten Kutzner	Merge branch 'master' of git.gromacs.org:gromacs	commit \| commitdiff \| tree \| snapshot
2010-11-23	Carsten Kutzner	Enforced rotation: code cleanup	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	ckutzne	Fixed segv in gmx_pme_error when gromacs compiled with...	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
2010-11-18	Carsten Kutzner	Better description of rotation options	commit \| commitdiff \| tree \| snapshot
2010-11-17	Carsten Kutzner	Removed unnecessary include	commit \| commitdiff \| tree \| snapshot
2010-11-17	Carsten Kutzner	Merge branch 'rotation'	commit \| commitdiff \| tree \| snapshot
2010-11-17	Carsten Kutzner	Merge branch 'release-4-5-patches'	commit \| commitdiff \| tree \| snapshot
2010-11-15	Carsten Kutzner	Merge branch 'rotation-4-5' into rotation	commit \| commitdiff \| tree \| snapshot
2010-11-15	Carsten Kutzner	Enforced rotation: define Gaussian norm	commit \| commitdiff \| tree \| snapshot
2010-11-15	Carsten Kutzner	Merge branch 'rotation-4-5' into rotation	commit \| commitdiff \| tree \| snapshot
2010-11-15	Carsten Kutzner	Enforced rotation: use the right tpx_version	commit \| commitdiff \| tree \| snapshot
2010-11-15	Carsten Kutzner	Enforced rotation: set the right tpx_version	commit \| commitdiff \| tree \| snapshot
2010-11-15	Carsten Kutzner	Merge branch 'release-4-5-patches' into rotation-4-5	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
2010-11-08	Carsten Kutzner	Merge branch 'master' into rotation	commit \| commitdiff \| tree \| snapshot
2010-11-08	Carsten Kutzner	Merge branch 'rotation-4-5' into rotation	commit \| commitdiff \| tree \| snapshot
2010-11-08	Carsten Kutzner	Enforced rotatin: Put in check for acos value; enhanced...	commit \| commitdiff \| tree \| snapshot
2010-11-08	Carsten Kutzner	Merge branch 'release-4-5-patches' into rotation-4-5	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	Teemu Murtola	Merge branch 'release-4-5-patches'	commit \| commitdiff \| tree \| snapshot
2010-11-05	David van der...	Fixed compilation issue.	commit \| commitdiff \| tree \| snapshot
2010-11-05	David van der...	Fixed compilation issue.	commit \| commitdiff \| tree \| snapshot
2010-11-05	David van der...	Added flag to gmx_stats_get_point	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	Carsten Kutzner	Merge branch 'rotation-4-5' into rotation	commit \| commitdiff \| tree \| snapshot
2010-11-05	Carsten Kutzner	Flexible RMSD fitting is now optionally mass-weighted	commit \| commitdiff \| tree \| snapshot
2010-11-05	Carsten Kutzner	Print warning when reference file is set but could...	commit \| commitdiff \| tree \| snapshot
2010-11-05	Berk Hess	pdb2gmx now puts atoms with cgnr=-1 in separate charge...	commit \| commitdiff \| tree \| snapshot
2010-11-05	Carsten Kutzner	Merge branch 'release-4-5-patches' into rotation-4-5	commit \| commitdiff \| tree \| snapshot
2010-11-04	Roland Schulz	print more information in case of lock error	commit \| commitdiff \| tree \| snapshot
2010-11-04	Carsten Kutzner	Merge branch 'rotation-4-5' into rotation	commit \| commitdiff \| tree \| snapshot
2010-11-04	Carsten Kutzner	Doxygen comment for dd_make_local_rotation_groups	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	Carsten Kutzner	Merge branch 'master' into rotation	commit \| commitdiff \| tree \| snapshot
2010-11-04	Carsten Kutzner	Merge branch 'release-4-5-patches' into rotation-4-5	commit \| commitdiff \| tree \| snapshot
2010-11-04	Carsten Kutzner	Merge branch 'rotation-4-5' into rotation	commit \| commitdiff \| tree \| snapshot
2010-11-04	Carsten Kutzner	Updated normalization factor	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	David van der...	Fixed bug 604 as requested.	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
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