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

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

2014-06-26	Roland Schulz	Merge release-4-6 into release-5-0	commit \| commitdiff \| tree \| snapshot
2014-06-23	Erik Lindahl	Enable 4-letter resname in PDB output, keeps more pdbinfo.	commit \| commitdiff \| tree \| snapshot
2014-06-23	Erik Lindahl	Detect non-fatal warnings when trying CFlags for source	commit \| commitdiff \| tree \| snapshot
2014-06-23	Erik Lindahl	Enable xvgr output and labels for g_principal	commit \| commitdiff \| tree \| snapshot
2014-06-23	Erik Lindahl	Disallow extracting V/F from XTC files in g_traj	commit \| commitdiff \| tree \| snapshot
2014-06-23	Erik Lindahl	Warn if using nsteps=0 without continuation=yes	commit \| commitdiff \| tree \| snapshot
2014-06-22	Erik Lindahl	Make log file option listing similar to mdp names	commit \| commitdiff \| tree \| snapshot
2014-06-21	Vedran Miletić	Use ${CMAKE_INSTALL_LIBDIR} as lib directory for tng_io...	commit \| commitdiff \| tree \| snapshot
2014-06-21	Erik Lindahl	Make sure masses are copied from termini databases	commit \| commitdiff \| tree \| snapshot
2014-06-20	Rossen Apostolov	Removed unused parameters and cleanup of inputrec.	commit \| commitdiff \| tree \| snapshot
2014-06-19	Rossen Apostolov	Small typos in surface tension description.	commit \| commitdiff \| tree \| snapshot
2014-06-19	Magnus Lundborg	Bumped the TNG library to the latest version.	commit \| commitdiff \| tree \| snapshot
2014-06-19	Roland Schulz	Disable maybe-uninitialized warning	commit \| commitdiff \| tree \| snapshot
2014-06-18	Roland Schulz	Add ASAN build configuration	commit \| commitdiff \| tree \| snapshot
2014-06-18	Rossen Apostolov	Added reference to cmap in pdb2gmx.	commit \| commitdiff \| tree \| snapshot
2014-06-18	Mark Abraham	Made mdrun warn when generic kernels are used	commit \| commitdiff \| tree \| snapshot
2014-06-17	Rossen Apostolov	Small changes in appendix A of the manual.	commit \| commitdiff \| tree \| snapshot
2014-06-14	Rossen Apostolov	Added tip5pe water model to oplsa.	commit \| commitdiff \| tree \| snapshot
2014-06-13	Roland Schulz	Make nbnxn template and generated files match	commit \| commitdiff \| tree \| snapshot
2014-06-12	Rossen Apostolov	Cleanup environment variables.	commit \| commitdiff \| tree \| snapshot
2014-06-12	Erik Lindahl	Removed undocumented -map and -mdata options from g_sham.	commit \| commitdiff \| tree \| snapshot
2014-06-12	Erik Lindahl	Always write output from genion	commit \| commitdiff \| tree \| snapshot
2014-06-11	Berk Hess	Decoupled repl_ex_nst from nstcalcenergy	commit \| commitdiff \| tree \| snapshot
2014-06-10	Berk Hess	Replaced gmx_hostname_num by gmx_physicalnode_id_hash	commit \| commitdiff \| tree \| snapshot
2014-06-09	Rossen Apostolov	Install libraries in correct directories on multiarch...	commit \| commitdiff \| tree \| snapshot
2014-06-09	Berk Hess	Set make_ndx max name length and count to 1024	commit \| commitdiff \| tree \| snapshot
2014-06-09	Erik Lindahl	Fixed the output format of g_principal	commit \| commitdiff \| tree \| snapshot
2014-06-09	Erik Lindahl	Modify single/double EPS to agree with ISO C	commit \| commitdiff \| tree \| snapshot
2014-06-07	Erik Lindahl	Added package version to tng_io CMakelists.txt	commit \| commitdiff \| tree \| snapshot
2014-06-06	Mark Abraham	Merge release-4-6 into release-5-0	commit \| commitdiff \| tree \| snapshot
2014-06-05	Berk Hess	Fixed shift and switch modifiers, particularly for...	commit \| commitdiff \| tree \| snapshot
2014-06-05	Berk Hess	Fix constraint virial with multiple time stepping	commit \| commitdiff \| tree \| snapshot
2014-06-05	Mark Abraham	New quotes	commit \| commitdiff \| tree \| snapshot
2014-06-04	Rossen Apostolov	Updated C-/N-terminal partial charges in Amber03.ff.	commit \| commitdiff \| tree \| snapshot
2014-06-03	Mark Abraham	Use RNG correctly for v-rescale thermostat	commit \| commitdiff \| tree \| snapshot
2014-06-02	Berk Hess	Fixed g_energy Einstein viscosity	commit \| commitdiff \| tree \| snapshot
2014-06-02	Erik Lindahl	Added grompp checks for zero atom masses in state B	commit \| commitdiff \| tree \| snapshot
2014-06-01	Szilárd Páll	Add quote on the kT-kj/mol conversion factor	commit \| commitdiff \| tree \| snapshot
2014-06-01	Erik Lindahl	Fixed typo in manual	commit \| commitdiff \| tree \| snapshot
2014-06-01	Erik Lindahl	Two quotes contributed by Vedran Miletic	commit \| commitdiff \| tree \| snapshot
2014-05-31	Magnus Lundborg	Fix bug writing TNG output from dump.	commit \| commitdiff \| tree \| snapshot
2014-05-31	Magnus Lundborg	Bug fix in the TNG library to improve reading.	commit \| commitdiff \| tree \| snapshot
2014-05-31	David van der...	Permit trjconv to read and write velocities with TNG...	commit \| commitdiff \| tree \| snapshot
2014-05-30	Mark Abraham	Finalize change from GMX_CPU_ACCELERATION to GMX_SIMD	commit \| commitdiff \| tree \| snapshot
2014-05-27	Roland Schulz	Merge release-4-6 into release-5-0	commit \| commitdiff \| tree \| snapshot
2014-05-24	Rossen Apostolov	Simplified section "Porting".	commit \| commitdiff \| tree \| snapshot
2014-05-24	Rossen Apostolov	Allow trjconv to keep some box dimensions unchanged.	commit \| commitdiff \| tree \| snapshot
2014-05-22	Roland Schulz	Fix memory issue in solvate	commit \| commitdiff \| tree \| snapshot
2014-05-22	Rossen Apostolov	Normal modes don't work currently with virtual sites...	commit \| commitdiff \| tree \| snapshot
2014-05-22	Teemu Murtola	Fix static group list indices in selection prompt	commit \| commitdiff \| tree \| snapshot
2014-05-22	Berk Hess	Avoid energy drift with verlet-buffer-tolerance	commit \| commitdiff \| tree \| snapshot
2014-05-22	Mark Abraham	Add fatal errors for VV and twin-range MTS	commit \| commitdiff \| tree \| snapshot
2014-05-22	Mark Abraham	Clarified docs for use of mdrun -nstlist	commit \| commitdiff \| tree \| snapshot
2014-05-20	Mark Abraham	Fix copyright years for new code	commit \| commitdiff \| tree \| snapshot
2014-05-20	Justin Lemkul	Improvements to the g_lie help description.	commit \| commitdiff \| tree \| snapshot
2014-05-20	Rossen Apostolov	Added a note about using direction-periodic pulling.	commit \| commitdiff \| tree \| snapshot
2014-05-20	Rossen Apostolov	Added a note about unsupported Verlet cutoff + Buckingham.	commit \| commitdiff \| tree \| snapshot
2014-05-20	Mark Abraham	Add note about correct calling of wallcycle counter	commit \| commitdiff \| tree \| snapshot
2014-05-18	Mark Abraham	Fix indenting of .tpr parameter dump in mdrun log file	commit \| commitdiff \| tree \| snapshot
2014-05-16	David van der...	Fixes a complicated bug in g_anaeig.	commit \| commitdiff \| tree \| snapshot
2014-05-13	Mark Abraham	Prohibit AVX_256 with buggy gcc 4.6.1	commit \| commitdiff \| tree \| snapshot
2014-05-10	Roland Schulz	Merge release-4-6 into release-5-0	commit \| commitdiff \| tree \| snapshot
2014-05-09	Alexey Shvetsov	Fix clang 3.5 warnings regarding abs	commit \| commitdiff \| tree \| snapshot
2014-05-09	Berk Hess	Minor tweaks to the DD setup	commit \| commitdiff \| tree \| snapshot
2014-05-09	Roland Schulz	Fix comparison of array to NULL	commit \| commitdiff \| tree \| snapshot
2014-05-09	Roland Schulz	Merge "Merge branch release-4-6 into release-5-0" into...	commit \| commitdiff \| tree \| snapshot
2014-05-09	Roland Schulz	Fix OpenMP scope error	commit \| commitdiff \| tree \| snapshot
2014-05-09	Roland Schulz	Fix OpenMP unproteced update bug	commit \| commitdiff \| tree \| snapshot
2014-05-05	Pino Toscano	cmake: enable shared libraries by default on Hurd	commit \| commitdiff \| tree \| snapshot
2014-05-01	Teemu Murtola	Fix incorrect limits in FloatOptionStorage	commit \| commitdiff \| tree \| snapshot
2014-04-30	Roland Schulz	Fix usage of gmx_eof	commit \| commitdiff \| tree \| snapshot
2014-04-29	Mark Abraham	Merge branch release-4-6 into release-5-0	commit \| commitdiff \| tree \| snapshot
2014-04-29	Berk Hess	Removed truncation of nrdf in v-rescale thermostat	commit \| commitdiff \| tree \| snapshot
2014-04-29	Justin Lemkul	Made ORCA compile.	commit \| commitdiff \| tree \| snapshot
2014-04-24	Magnus Lundborg	More efficient TNG selection group creation	commit \| commitdiff \| tree \| snapshot
2014-04-23	Berk Hess	Fixed nbnxn FE list allocation issue	commit \| commitdiff \| tree \| snapshot
2014-04-22	Roland Schulz	Fix memory error in asc format IO	commit \| commitdiff \| tree \| snapshot
2014-04-21	Michael Shirts	Issue warnings for potential switch w/o defining switch...	commit \| commitdiff \| tree \| snapshot
2014-04-16	Magnus Lundborg	Fixed bug inverting compression precision.	commit \| commitdiff \| tree \| snapshot
2014-04-16	Roland Schulz	Fix whitespace	commit \| commitdiff \| tree \| snapshot
2014-04-16	Mark Abraham	Fix and simplify version matching for running tests	commit \| commitdiff \| tree \| snapshot
2014-04-14	Roland Schulz	Improve language choice	commit \| commitdiff \| tree \| snapshot
2014-04-10	Mark Abraham	Merge branch 'release-4-6' into release-5-0	commit \| commitdiff \| tree \| snapshot
2014-04-10	Mark Abraham	Further fix to gmx tune-pme	commit \| commitdiff \| tree \| snapshot
2014-04-09	Carlo Camilloni	Fixed g_rmsdist NOE calculation	commit \| commitdiff \| tree \| snapshot
2014-04-07	Mark Abraham	Fix invalid dereference in g_tune_pme	commit \| commitdiff \| tree \| snapshot
2014-04-07	Erik Lindahl	Make sure water optimization is disabled for esoteric...	commit \| commitdiff \| tree \| snapshot
2014-04-07	Mark Abraham	Version bump for 5.0-rc1	commit \| commitdiff \| tree \| snapshot
2014-04-07	Teemu Murtola	Doxygen documentation for version.h	commit \| commitdiff \| tree \| snapshot
2014-04-04	Teemu Murtola	Remove ancient SGI-specific code	commit \| commitdiff \| tree \| snapshot
2014-04-04	Teemu Murtola	Clean up gmx_fatal.*	commit \| commitdiff \| tree \| snapshot
2014-04-03	Mark Abraham	Move string-parsing code to where it can be reused	commit \| commitdiff \| tree \| snapshot
2014-04-02	Roland Schulz	Add doc for spec. values of GMX_MAXBACKUP	commit \| commitdiff \| tree \| snapshot
2014-04-02	David van der...	Removed possibility of compiling with GSL.	commit \| commitdiff \| tree \| snapshot
2014-04-02	Teemu Murtola	Move string2.* to utility/cstringutil.*	commit \| commitdiff \| tree \| snapshot
2014-04-02	Mark Abraham	Fixes for g_tune_pme for 5.0	commit \| commitdiff \| tree \| snapshot
2014-04-02	Mark Abraham	Fix bug accumulating nrank_pp_intranode on PME ranks	commit \| commitdiff \| tree \| snapshot
2014-04-02	Berk Hess	Added LJ-PME and LJ Pot-switch to PME load estimate	commit \| commitdiff \| tree \| snapshot
2014-04-02	Mark Abraham	Re-use gmx_greatest_common_divisor()	commit \| commitdiff \| tree \| snapshot
2014-04-01	Teemu Murtola	Move smalloc.h to utility/	commit \| commitdiff \| tree \| snapshot
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