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

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

2010-11-04	Carsten Kutzner	Merge branch 'master' into rotation	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
2010-10-28	David van der...	Fixed bug 604 as requested.	commit \| commitdiff \| tree \| snapshot
2010-10-14	Teemu Murtola	Merge branch 'release-4-5-patches'	commit \| commitdiff \| tree \| snapshot
2010-10-13	Berk Hess	fixed g_velacc -m not automatically using -s	commit \| commitdiff \| tree \| snapshot
2010-10-13	Teemu Murtola	Fixed selection problems with a minus sign.	commit \| commitdiff \| tree \| snapshot
2010-10-13	Teemu Murtola	Fixed valgrind warnings in selections.	commit \| commitdiff \| tree \| snapshot
2010-10-13	Teemu Murtola	Fixed more selection negation segfaults.	commit \| commitdiff \| tree \| snapshot
2010-10-13	Teemu Murtola	Fixed segfaults with negations in selections.	commit \| commitdiff \| tree \| snapshot
2010-10-13	Roland Schulz	make sure that the MANPATH is not set to only GMXMANPATH	commit \| commitdiff \| tree \| snapshot
2010-10-12	Berk Hess	added note to g_density for using g_energy for normal...	commit \| commitdiff \| tree \| snapshot
2010-10-12	Berk Hess	fixed incorrect dispersion correction for TPI with...	commit \| commitdiff \| tree \| snapshot
2010-10-11	Roland Schulz	fixed spelling	commit \| commitdiff \| tree \| snapshot
2010-10-09	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-10-09	Erik Lindahl	Fixed uninitialized variable warning in grompp.c	commit \| commitdiff \| tree \| snapshot
2010-10-09	Roland Shulz	fixed d3b582c73	commit \| commitdiff \| tree \| snapshot
2010-10-09	Roland Shulz	fixed 624db1bb	commit \| commitdiff \| tree \| snapshot
2010-10-08	Berk Hess	fixed typo in checkpoint warning	commit \| commitdiff \| tree \| snapshot
2010-10-08	Berk Hess	made combination of tpi and pme work again in parallel	commit \| commitdiff \| tree \| snapshot
2010-10-08	Berk Hess	fixed combination of tpic with pme, pme mesh energy...	commit \| commitdiff \| tree \| snapshot
2010-10-08	Roland Schulz	Merge remote branch 'origin/release-4-5-patches'	commit \| commitdiff \| tree \| snapshot
2010-10-08	Christoph Junghans	CMake: another fortran fix	commit \| commitdiff \| tree \| snapshot
2010-10-08	Sander Pronk	Now really fixed locking of log file.	commit \| commitdiff \| tree \| snapshot
2010-10-08	Roland Schulz	Merge branch 'release-4-5-patches'	commit \| commitdiff \| tree \| snapshot
2010-10-08	Roland Schulz	fixed locking of log file - broken by d750b9ce	commit \| commitdiff \| tree \| snapshot
2010-10-07	hess	Made Charmm27 DNA and RNA termini (Michel Cuendet)...	commit \| commitdiff \| tree \| snapshot
2010-10-07	Sander Pronk	cmake LIB environment variable check, and GMXRC check...	commit \| commitdiff \| tree \| snapshot
2010-10-07	David van der...	Fixed compilation issues with C99 compatibility.	commit \| commitdiff \| tree \| snapshot
2010-10-07	David van der...	Fixes and small additions to g_wham, due to Jochen...	commit \| commitdiff \| tree \| snapshot
2010-10-07	hess	fixed genbox producing incorrect residue names with...	commit \| commitdiff \| tree \| snapshot
2010-10-07	Roland Schulz	added a comment about assumptions of aligned memory	commit \| commitdiff \| tree \| snapshot
2010-10-06	Christoph Junghans	CMake: fortran fix	commit \| commitdiff \| tree \| snapshot
2010-10-06	Szilard Pall	fixed syntax error from commit bd5b2724	commit \| commitdiff \| tree \| snapshot
2010-10-05	Christoph Junghans	cmake: give openmm default suffixes	commit \| commitdiff \| tree \| snapshot
2010-10-05	Christoph Junghans	cmake: install-mdrun should not install pkg-config...	commit \| commitdiff \| tree \| snapshot
2010-10-05	Sander Pronk	Modified FORTRAN and threads warning.	commit \| commitdiff \| tree \| snapshot
2010-10-05	Szilard Pall	improved option compatibility checking with OpenMM	commit \| commitdiff \| tree \| snapshot
2010-10-05	Szilard Pall	improved option compatibility checking with OpenMM	commit \| commitdiff \| tree \| snapshot
2010-10-05	Berk Hess	made grompp mdp input file non-optional, fixes bugzilla 577	commit \| commitdiff \| tree \| snapshot
2010-10-05	Berk Hess	added fail-safe check for OpenMM with double precision	commit \| commitdiff \| tree \| snapshot
2010-10-05	Berk Hess	renamed mdp setting Ace-approx to Ace-approximation	commit \| commitdiff \| tree \| snapshot
2010-10-05	Berk Hess	fixed completely incorrect pressure scaling with nstlis...	commit \| commitdiff \| tree \| snapshot
2010-10-05	Szilard Pall	Merge branch 'master' of git.gromacs.org:gromacs	commit \| commitdiff \| tree \| snapshot
2010-10-05	Mark Abraham	Fix manual references for 'continuation', rather than...	commit \| commitdiff \| tree \| snapshot
2010-10-05	Mark Abraham	mk_dlist() changed its parameter list, so its declarati...	commit \| commitdiff \| tree \| snapshot
2010-10-04	Roland Schulz	fix broken check for dlopen (by Christoph Junghans...	commit \| commitdiff \| tree \| snapshot
2010-10-01	Roland Schulz	fix FFTW3 interface for non aligned memory	commit \| commitdiff \| tree \| snapshot
2010-10-01	Szilard Pall	make install-mdrun now installes shared libs (fix for...	commit \| commitdiff \| tree \| snapshot
2010-09-30	Roland Schulz	Merge branch 'release-4-5-patches'	commit \| commitdiff \| tree \| snapshot
2010-09-30	Christoph Junghans	configure: added '--disable-la-files' option	commit \| commitdiff \| tree \| snapshot
2010-09-30	Berk Hess	changed the grompp charge group radii to always check...	commit \| commitdiff \| tree \| snapshot
2010-09-30	Sander Pronk	Error message on enabling FORTRAN and threads.	commit \| commitdiff \| tree \| snapshot
2010-09-30	Roland Schulz	made vmdio work with older api version (e.g. vmd 1...	commit \| commitdiff \| tree \| snapshot
2010-09-27	Roland Schulz	include "error.h" was not neccessary and caused problem...	commit \| commitdiff \| tree \| snapshot
2010-09-26	Roland Schulz	1) gmx_fio_seek was not returning correct return value...	commit \| commitdiff \| tree \| snapshot
2010-09-25	Rossen Apostolov	Reverted changes to md_openmm.c, get rid of 'nan' in...	commit \| commitdiff \| tree \| snapshot
2010-09-25	David van der...	Merge branch 'release-4-5-patches'	commit \| commitdiff \| tree \| snapshot
2010-09-25	David van der...	Added software-related quote	commit \| commitdiff \| tree \| snapshot
2010-09-25	Rossen Apostolov	mdrun-gpu now doesn't output individual energy term...	commit \| commitdiff \| tree \| snapshot
2010-09-25	Berk Hess	fixed case of opls atom types in share/top/ions.itp...	commit \| commitdiff \| tree \| snapshot
2010-09-24	David van der...	Updated to reflect bug 557.	commit \| commitdiff \| tree \| snapshot
2010-09-23	Mark Abraham	Fixes for g_chi for bugzilla 569, so that it now uses...	commit \| commitdiff \| tree \| snapshot
2010-09-23	Mark Abraham	Extensions to the gmx_residuetypes_t API to meet the...	commit \| commitdiff \| tree \| snapshot
2010-09-23	Roland Schulz	vmdio read the box but didn't mark it as beeing read...	commit \| commitdiff \| tree \| snapshot
2010-09-22	Roland Shulz	MCH3S was missing	commit \| commitdiff \| tree \| snapshot
2010-09-22	Sander Pronk	Added missing includes to gmx_tune_pme.c	commit \| commitdiff \| tree \| snapshot
2010-09-22	Berk Hess	added a warning/note for bond oscillational periods...	commit \| commitdiff \| tree \| snapshot
2010-09-22	Carsten Kutzner	Merge branch 'rotation-4-5' into rotation	commit \| commitdiff \| tree \| snapshot
2010-09-22	Carsten Kutzner	Enforced rotation: corrected PBC treatment	commit \| commitdiff \| tree \| snapshot
2010-09-22	Carsten Kutzner	Merge branch 'rotation-4-5' into rotation	commit \| commitdiff \| tree \| snapshot
2010-09-22	Carsten Kutzner	Merge branch 'release-4-5-patches' into rotation-4-5	commit \| commitdiff \| tree \| snapshot
2010-09-21	Berk Hess	added check for tau_t<=0 with integrator sd	commit \| commitdiff \| tree \| snapshot
2010-09-21	Berk Hess	fixed incorrect gmxcheck comparison of ir->separate_dhd...	commit \| commitdiff \| tree \| snapshot
2010-09-21	Carsten Kutzner	Added missing #ifdef around MPI directive	commit \| commitdiff \| tree \| snapshot
2010-09-21	Rossen Apostolov	Fixed missing installation of the openmm_api_wrapper...	commit \| commitdiff \| tree \| snapshot
2010-09-21	Berk Hess	improved the initial guess and fitting weights for...	commit \| commitdiff \| tree \| snapshot
2010-09-21	Berk Hess	removed g_analyze confusing fitting messages about...	commit \| commitdiff \| tree \| snapshot
2010-09-20	Szilard Pall	FindFFT?[F] scripts can use a path provided in FFTWx...	commit \| commitdiff \| tree \| snapshot
2010-09-20	Berk Hess	fixed too small fixed array in grompp top reading ...	commit \| commitdiff \| tree \| snapshot
2010-09-20	Rossen Apostolov	Added do_multiprot in src/contrib, thanks to Ran Friedman	commit \| commitdiff \| tree \| snapshot
2010-09-20	David van der...	Merge branch 'release-4-5-patches' of git@git.gromacs...	commit \| commitdiff \| tree \| snapshot
2010-09-20	David van der...	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree \| snapshot
2010-09-20	David van der...	Merge branch 'release-4-5-patches'	commit \| commitdiff \| tree \| snapshot
2010-09-20	David van der...	Fixed bug bugzilla.gromacs.org/show_bug.cgi?id=564...	commit \| commitdiff \| tree \| snapshot
2010-09-20	Carsten Kutzner	gmx_pme_error now uses at most all charges for the...	commit \| commitdiff \| tree \| snapshot
2010-09-20	Carsten Kutzner	Merge branch 'rotation-4-5' into rotation	commit \| commitdiff \| tree \| snapshot
2010-09-20	Carsten Kutzner	Enforced rotation: Issue a warning when actual box...	commit \| commitdiff \| tree \| snapshot
2010-09-20	Per Larsson	Changes to GB non-polar solvation calculations	commit \| commitdiff \| tree \| snapshot
2010-09-20	Carsten Kutzner	Merge branch 'release-4-5-patches' into rotation-4-5	commit \| commitdiff \| tree \| snapshot
2010-09-20	Teemu Murtola	Fixes for selection modifier initialization.	commit \| commitdiff \| tree \| snapshot
2010-09-19	Roland Schulz	fixed box vector read in vmdio	commit \| commitdiff \| tree \| snapshot
2010-09-17	Carsten Kutzner	Fixed reproducibility of g_pme_error results in parallel	commit \| commitdiff \| tree \| snapshot
2010-09-17	Sander Pronk	Fixed more checkpointing issues with .edr dh data.	commit \| commitdiff \| tree \| snapshot
2010-09-17	Sander Pronk	Checkpoints backward-compatible + more consistency...	commit \| commitdiff \| tree \| snapshot
2010-09-17	Sander Pronk	Fixed checkpointing bug with g_bar energies	commit \| commitdiff \| tree \| snapshot
2010-09-17	Berk Hess	Revert "added GB non-polar solvation energy term to...	commit \| commitdiff \| tree \| snapshot
2010-09-17	Christoph Junghans	configure: power6 and fortran can now be enabled at...	commit \| commitdiff \| tree \| snapshot
2010-09-17	Christoph Junghans	configure: fortran kernels can also be compiled with...	commit \| commitdiff \| tree \| snapshot
2010-09-17	Carsten Kutzner	Merge branch 'rotation-4-5' into rotation	commit \| commitdiff \| tree \| snapshot
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