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

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

2013-06-14	David van der...	New analysis tool to compute the free volume and total...	commit \| commitdiff \| tree \| snapshot
2013-06-13	Teemu Murtola	Added ability to use cppcheck from the command line.	commit \| commitdiff \| tree \| snapshot
2013-06-12	Teemu Murtola	Better averaging for analysis data modules.	commit \| commitdiff \| tree \| snapshot
2013-06-11	Teemu Murtola	Move wman.* to src/gromacs/onlinehelp/.	commit \| commitdiff \| tree \| snapshot
2013-05-30	Teemu Murtola	Only build base thread support with GMX_THREAD_MPI...	commit \| commitdiff \| tree \| snapshot
2013-05-30	Mark Abraham	Merge "Merge branch 'release-4-6'"	commit \| commitdiff \| tree \| snapshot
2013-05-24	Teemu Murtola	Merge branch 'release-4-6'	commit \| commitdiff \| tree \| snapshot
2013-05-22	Teemu Murtola	Add a few sequence diagrams to Doxygen docs.	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
2013-05-21	Roland Schulz	Merge release-4-6 into master	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	David van der...	Fixed two compilation issues.	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	Mark Abraham	Merge "Improve master-specific CMake behavior."	commit \| commitdiff \| tree \| snapshot
2013-05-02	David van der...	Fixes #1238 g_hydorder does not call set_pbc.	commit \| commitdiff \| tree \| snapshot
2013-05-01	David van der...	Merge "Updated source for Van der Waals radii."	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	Teemu Murtola	Remove gmx_ana_index_t::name and unused code.	commit \| commitdiff \| tree \| snapshot
2013-04-29	Carsten Kutzner	Evaluate enforced rotation potenial with Verlet, fixes...	commit \| commitdiff \| tree \| snapshot
2013-04-29	Christoph Junghans	Merge "Fix another bug in selection subexpression handl...	commit \| commitdiff \| tree \| snapshot
2013-04-29	Christoph Junghans	Merge "Fix bug in selection subexpression handling."	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
2013-04-25	David van der...	Updated source for Van der Waals radii.	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
2013-04-17	Teemu Murtola	Add check for empty selections.	commit \| commitdiff \| tree \| snapshot
2013-04-17	Teemu Murtola	Implement remaining SelectionOption flags.	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	David van der...	Merge "Add histogram output for 'gmx gangle'."	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
2013-04-10	Teemu Murtola	Fix another bug in selection subexpression handling.	commit \| commitdiff \| tree \| snapshot
2013-04-07	Teemu Murtola	Fix bug in selection subexpression handling.	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
2013-03-26	Teemu Murtola	Improve master-specific CMake behavior.	commit \| commitdiff \| tree \| snapshot
2013-03-26	Teemu Murtola	Add histogram output for 'gmx gangle'.	commit \| commitdiff \| tree \| snapshot
2013-03-24	Teemu Murtola	Merge libgmxana into libgromacs.	commit \| commitdiff \| tree \| snapshot
2013-03-22	Roland Schulz	Fix problems with intel-mpi	commit \| commitdiff \| tree \| snapshot
2013-03-22	Teemu Murtola	Merge "Merge release-4-6 into master"	commit \| commitdiff \| tree \| snapshot
2013-03-21	Berk Hess	made PME work with a mix of 1 and more threads	commit \| commitdiff \| tree \| snapshot
2013-03-20	Roland Schulz	Merge release-4-6 into master	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
2013-03-11	Mark Abraham	Added install guide section for BLAS/LAPACK	commit \| commitdiff \| tree \| snapshot
2013-03-11	Mark Abraham	Merge "Fixes linkage with FFTW + MKL for BLAS/LAPACK...	commit \| commitdiff \| tree \| snapshot
2013-03-08	Carsten Kutzner	Essential dynamics: fixed legend in ED .xvg output...	commit \| commitdiff \| tree \| snapshot
2013-03-08	Teemu Murtola	Better test assertions for exceptions.	commit \| commitdiff \| tree \| snapshot
2013-03-07	Teemu Murtola	Improve enum option interface.	commit \| commitdiff \| tree \| snapshot
2013-03-07	Teemu Murtola	More flexible handling of enum option descriptions.	commit \| commitdiff \| tree \| snapshot
2013-03-07	Teemu Murtola	Fix copyright notices for new C++ code.	commit \| commitdiff \| tree \| snapshot
2013-03-07	Teemu Murtola	Update my e-mail address on author lines.	commit \| commitdiff \| tree \| snapshot
2013-03-07	Teemu Murtola	Merge "Uncrustify template.cpp and selection.cpp."	commit \| commitdiff \| tree \| snapshot
2013-03-07	Teemu Murtola	Merge "Merge release-4-6 into master"	commit \| commitdiff \| tree \| snapshot
2013-03-07	David van der...	Fixes #1183 PBC bug in g_mindist	commit \| commitdiff \| tree \| snapshot
2013-03-06	Roland Schulz	Merge "fixed PME time print with -ntomp_pme != -ntomp...	commit \| commitdiff \| tree \| snapshot
2013-03-05	Mark Abraham	New patch release 4.6.1	commit \| commitdiff \| tree \| snapshot
2013-03-05	Mark Abraham	Fix automated regression testing GMXLIB value	commit \| commitdiff \| tree \| snapshot
2013-03-05	Berk Hess	fixed bug with DD cut-off check and PME DLB	commit \| commitdiff \| tree \| snapshot
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