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

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

2013-06-28	Justin Lemkul	Minor tweaks to qm_orca.c	commit \| commitdiff \| tree \| snapshot
2013-06-28	Justin Lemkul	Fixes to config.h.cmakein to set GMX_QMMM_ORCA.	commit \| commitdiff \| tree \| snapshot
2013-06-26	Carsten Kutzner	Fixed -npstring command line argument in g_tune_pme	commit \| commitdiff \| tree \| snapshot
2013-06-25	Mark Abraham	Fixed #include of header for atomics on K-computer	commit \| commitdiff \| tree \| snapshot
2013-06-25	Jeff Hammond	Fix declaration that XLC rejected	commit \| commitdiff \| tree \| snapshot
2013-06-25	Szilard Pall	added CUDA compiler flags to version header	commit \| commitdiff \| tree \| snapshot
2013-06-20	Berk Hess	fixed SD and BD integrator OpenMP performance	commit \| commitdiff \| tree \| snapshot
2013-06-20	Michael Shirts	Fixing a problem when dhdl and replex are not multiples	commit \| commitdiff \| tree \| snapshot
2013-06-20	Berk Hess	flops table now reports CUDA analytical Ewald	commit \| commitdiff \| tree \| snapshot
2013-06-16	Jeff Hammond	Define both C and C++ compilers in BGQ toolchains;...	commit \| commitdiff \| tree \| snapshot
2013-06-16	Jeff Hammond	Use more obvious name of BGQ compiler MPI wrappers	commit \| commitdiff \| tree \| snapshot
2013-06-16	Jeff Hammond	fix CMake bug related to TestQPX.c location	commit \| commitdiff \| tree \| snapshot
2013-06-16	Jeff Hammond	fixed a typo (unclosed bracket) that cause CMake to...	commit \| commitdiff \| tree \| snapshot
2013-06-14	Berk Hess	fixed minor g_bar output issues	commit \| commitdiff \| tree \| snapshot
2013-06-13	Mark Abraham	Remove unused variables	commit \| commitdiff \| tree \| snapshot
2013-06-07	Peter Kasson	Fixes syntax for FAHCORE in CMakeLists.txt.	commit \| commitdiff \| tree \| snapshot
2013-06-07	Pedro Lacerda	Add a GMX_NO_CREDITS variable to not show credits	commit \| commitdiff \| tree \| snapshot
2013-06-06	Pedro Lacerda	Various fixes for genion	commit \| commitdiff \| tree \| snapshot
2013-06-05	Berk Hess	fixed DD internal state corruption with energy minimization	commit \| commitdiff \| tree \| snapshot
2013-06-04	Sander Pronk	Fixed inconsistent locality_order array for thread...	commit \| commitdiff \| tree \| snapshot
2013-06-04	Sander Pronk	Fixed deadlock on Mac OS X during thread affinity check.	commit \| commitdiff \| tree \| snapshot
2013-06-04	Teemu Murtola	Split cmake thread detection into core thread and threa...	commit \| commitdiff \| tree \| snapshot
2013-06-03	Berk Hess	fixed deadlock with replica exchange and -maxh	commit \| commitdiff \| tree \| snapshot
2013-05-30	Mark Abraham	New patch release 4.6.2	commit \| commitdiff \| tree \| snapshot
2013-05-30	Szilárd Páll	fix unnecessary switch to polling GPU wait	commit \| commitdiff \| tree \| snapshot
2013-05-30	Szilard Pall	fix thread-safety issue in affinity layout detection	commit \| commitdiff \| tree \| snapshot
2013-05-30	Szilard Pall	add workaround for clang on AMD with FMA	commit \| commitdiff \| tree \| snapshot
2013-05-30	Justin Lemkul	Added GROMOS96 54A7 force field files.	commit \| commitdiff \| tree \| snapshot
2013-05-30	Szilard Pall	fix thread offset + stride check	commit \| commitdiff \| tree \| snapshot
2013-05-30	Michael Shirts	Fixing the constraint dhdl term in shake	commit \| commitdiff \| tree \| snapshot
2013-05-30	David van der...	Fixes #1194 error reading 4.5.5 tpr files with dihres	commit \| commitdiff \| tree \| snapshot
2013-05-30	Mark Abraham	Work around for correct treatment of all-vs-all	commit \| commitdiff \| tree \| snapshot
2013-05-28	Carsten Kutzner	Fixed calculation of slab buffer size for flexible...	commit \| commitdiff \| tree \| snapshot
2013-05-28	Teemu Murtola	Fix an error in selection online help.	commit \| commitdiff \| tree \| snapshot
2013-05-28	Carsten Kutzner	Fix for a rare condition in flexible rotation potentials.	commit \| commitdiff \| tree \| snapshot
2013-05-27	Szilard Pall	minor function argument cleanup	commit \| commitdiff \| tree \| snapshot
2013-05-27	Carsten Kutzner	Code cleanup in enforced rotation module, remove warnings.	commit \| commitdiff \| tree \| snapshot
2013-05-26	Michael Shirts	Fix of memory leak	commit \| commitdiff \| tree \| snapshot
2013-05-25	Mark Abraham	Make FFT detection quieter when nothing is changing	commit \| commitdiff \| tree \| snapshot
2013-05-24	Sander Pronk	Fixed a potential race condition in tMPI_Thread_create()	commit \| commitdiff \| tree \| snapshot
2013-05-22	Mark Abraham	Clarify g_gyrate -h	commit \| commitdiff \| tree \| snapshot
2013-05-22	Mark Abraham	Fix g_chi -omega	commit \| commitdiff \| tree \| snapshot
2013-05-22	Pedro Lacerda	Fix genion -nq and -pq when using -neutral	commit \| commitdiff \| tree \| snapshot
2013-05-21	Mark Abraham	Updated grompp cut-off and PME-Switch checks	commit \| commitdiff \| tree \| snapshot
2013-05-21	P S Lacerda	Fix -neutral option in genion	commit \| commitdiff \| tree \| snapshot
2013-05-21	Michael Shirts	Fixed problem with bond constraint dhdl being left out	commit \| commitdiff \| tree \| snapshot
2013-05-21	Erik Lindahl	Fujitsu Sparc64 acceleration and general fixes for...	commit \| commitdiff \| tree \| snapshot
2013-05-21	Sander Pronk	New version of thread_mpi with many minor enhancements	commit \| commitdiff \| tree \| snapshot
2013-05-21	Mark Abraham	Hack compiler flags to silence warnings on gcc 4.8	commit \| commitdiff \| tree \| snapshot
2013-05-17	Mark Abraham	Introduce fatal error for GB with FE	commit \| commitdiff \| tree \| snapshot
2013-05-16	Justin Lemkul	Fixed g_sgangle legends.	commit \| commitdiff \| tree \| snapshot
2013-05-16	Carsten Kutzner	Choose the PBC image of each rotation group atom depending	commit \| commitdiff \| tree \| snapshot
2013-05-15	Christoph Junghans	Merge "fixed incorrect scaling of cos-acceleration...	commit \| commitdiff \| tree \| snapshot
2013-05-10	Sander Pronk	Merge "Fixing handling of perturbation mass changes...	commit \| commitdiff \| tree \| snapshot
2013-05-10	Mark Abraham	Merge "Fixes "Function type U-B not implemented in...	commit \| commitdiff \| tree \| snapshot
2013-05-10	Mark Abraham	Merge "improve build with OpenMM, still not 100% fixed...	commit \| commitdiff \| tree \| snapshot
2013-05-10	Mark Abraham	Merge "fixing rerun with free energy + .xtc or .gro...	commit \| commitdiff \| tree \| snapshot
2013-05-10	Christoph Junghans	improve build with OpenMM, still not 100% fixed	commit \| commitdiff \| tree \| snapshot
2013-05-08	Berk Hess	fixed incorrect scaling of cos-acceleration viscosity	commit \| commitdiff \| tree \| snapshot
2013-05-08	Michael Shirts	fixing rerun with free energy + .xtc or .gro	commit \| commitdiff \| tree \| snapshot
2013-05-07	Mark Abraham	Fix extant references to former GPL licensing	commit \| commitdiff \| tree \| snapshot
2013-05-02	David van der...	Fixes #1238 g_hydorder does not call set_pbc.	commit \| commitdiff \| tree \| snapshot
2013-04-30	Michael Shirts	Fixing handling of perturbation mass changes.	commit \| commitdiff \| tree \| snapshot
2013-04-29	Magnus Lundborg	Fixes "Function type U-B not implemented in ip_pert."	commit \| commitdiff \| tree \| snapshot
2013-04-29	Carsten Kutzner	Evaluate enforced rotation potenial with Verlet, fixes...	commit \| commitdiff \| tree \| snapshot
2013-04-29	Mark Abraham	Merge "Update linking to MKL and document same" into...	commit \| commitdiff \| tree \| snapshot
2013-04-29	Mark Abraham	Merge "general SIMD acceleration for angles+dihedrals...	commit \| commitdiff \| tree \| snapshot
2013-04-29	Mark Abraham	Merge "PME load balancing now checks for PME grid restr...	commit \| commitdiff \| tree \| snapshot
2013-04-29	Berk Hess	general SIMD acceleration for angles+dihedrals	commit \| commitdiff \| tree \| snapshot
2013-04-29	Mark Abraham	Merge "Fixing a problem with dh/dl 1-4 interactions...	commit \| commitdiff \| tree \| snapshot
2013-04-26	Mark Abraham	Merge "CUDA PME kernels with analytical Ewald correctio...	commit \| commitdiff \| tree \| snapshot
2013-04-26	Berk Hess	PME load balancing now checks for PME grid restrictions	commit \| commitdiff \| tree \| snapshot
2013-04-26	Mark Abraham	Merge "improved load balancing with Verlet cut-off...	commit \| commitdiff \| tree \| snapshot
2013-04-26	Michael Shirts	Fixing a problem with dh/dl 1-4 interactions	commit \| commitdiff \| tree \| snapshot
2013-04-26	Mark Abraham	Update linking to MKL and document same	commit \| commitdiff \| tree \| snapshot
2013-04-26	Christoph Junghans	Merge "v-rescale works with tau-t >= 0" into release-4-6	commit \| commitdiff \| tree \| snapshot
2013-04-25	Mark Abraham	Merge "Merge branch 'release-4-5-patches'" into release-4-6	commit \| commitdiff \| tree \| snapshot
2013-04-22	Mark Abraham	Merge "Use git snapshots of the tests if are on git...	commit \| commitdiff \| tree \| snapshot
2013-04-19	Mark Abraham	v-rescale works with tau-t >= 0	commit \| commitdiff \| tree \| snapshot
2013-04-19	Teemu Murtola	Merge branch 'release-4-5-patches'	commit \| commitdiff \| tree \| snapshot
2013-04-18	Berk Hess	changed mdrun -nsteps to gmx_large_int_t	commit \| commitdiff \| tree \| snapshot
2013-04-17	Szilard Pall	CUDA PME kernels with analytical Ewald correction	commit \| commitdiff \| tree \| snapshot
2013-04-16	Christoph Junghans	Use git snapshots of the tests if are on git	commit \| commitdiff \| tree \| snapshot
2013-04-16	David van der...	Merge "corrected grompp rvdw charge-group radii check...	commit \| commitdiff \| tree \| snapshot
2013-04-13	David van der...	Merge "added mdrun check for Verlet+perturbed atoms...	commit \| commitdiff \| tree \| snapshot
2013-04-12	Berk Hess	improved load balancing with Verlet cut-off scheme	commit \| commitdiff \| tree \| snapshot
2013-04-12	Mark Abraham	Merge "removed x86 specifics from nbnxn SIMD kernels...	commit \| commitdiff \| tree \| snapshot
2013-04-12	Mark Abraham	Merge "corrected log file wall time breakdown" into...	commit \| commitdiff \| tree \| snapshot
2013-04-12	Mark Abraham	Merge "made PME work with a mix of 1 and more threads...	commit \| commitdiff \| tree \| snapshot
2013-04-10	Teemu Murtola	Fix another bug in selection subexpression handling.	commit \| commitdiff \| tree \| snapshot
2013-04-10	Teemu Murtola	Fix bug in selection subexpression handling.	commit \| commitdiff \| tree \| snapshot
2013-04-10	Teemu Murtola	Merge "Merge release-4-5-patches into release-4-6"...	commit \| commitdiff \| tree \| snapshot
2013-03-29	Christoph Junghans	Merge "Added install guide section for BLAS/LAPACK...	commit \| commitdiff \| tree \| snapshot
2013-03-27	Berk Hess	removed x86 specifics from nbnxn SIMD kernels	commit \| commitdiff \| tree \| snapshot
2013-03-27	Berk Hess	corrected log file wall time breakdown	commit \| commitdiff \| tree \| snapshot
2013-03-26	Roland Schulz	Merge release-4-5-patches into release-4-6	commit \| commitdiff \| tree \| snapshot
2013-03-21	Berk Hess	made PME work with a mix of 1 and more threads	commit \| commitdiff \| tree \| snapshot
2013-03-19	Christoph Junghans	Merge "Essential dynamics: fixed legend in ED .xvg...	commit \| commitdiff \| tree \| snapshot
2013-03-14	Berk Hess	corrected grompp rvdw charge-group radii check	commit \| commitdiff \| tree \| snapshot
2013-03-12	Mark Abraham	Merge "fix broken things in mkhtml" into release-4-6	commit \| commitdiff \| tree \| snapshot
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