biod.pnpi.spb.ru / alexxy / gromacs.git / shortlog
? search:
summary | shortlog | log | commit | commitdiff | tree
first ⋅ prev ⋅ next
alexxy/gromacs.git
2014-06-05 Mark AbrahamNew quotes commit | commitdiff | tree | snapshot
2014-06-03 Mark AbrahamUse RNG correctly for v-rescale thermostat commit | commitdiff | tree | snapshot
2014-06-02 Erik LindahlAdded grompp checks for zero atom masses in state B commit | commitdiff | tree | snapshot
2014-06-01 Szilárd PállAdd quote on the kT-kj/mol conversion factor commit | commitdiff | tree | snapshot
2014-06-01 Erik LindahlFixed typo in manual commit | commitdiff | tree | snapshot
2014-06-01 Erik LindahlTwo quotes contributed by Vedran Miletic commit | commitdiff | tree | snapshot
2014-05-31 Magnus LundborgFix bug writing TNG output from dump. commit | commitdiff | tree | snapshot
2014-05-31 Magnus LundborgBug 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 AbrahamFinalize change from GMX_CPU_ACCELERATION to GMX_SIMD commit | commitdiff | tree | snapshot
2014-05-27 Roland SchulzMerge release-4-6 into release-5-0 commit | commitdiff | tree | snapshot
2014-05-24 Rossen ApostolovSimplified section "Porting". commit | commitdiff | tree | snapshot
2014-05-24 Rossen ApostolovAllow trjconv to keep some box dimensions unchanged. commit | commitdiff | tree | snapshot
2014-05-22 Roland SchulzFix memory issue in solvate commit | commitdiff | tree | snapshot
2014-05-22 Rossen ApostolovNormal modes don't work currently with virtual sites... commit | commitdiff | tree | snapshot
2014-05-22 Teemu MurtolaFix static group list indices in selection prompt commit | commitdiff | tree | snapshot
2014-05-22 Berk HessAvoid energy drift with verlet-buffer-tolerance commit | commitdiff | tree | snapshot
2014-05-22 Mark AbrahamAdd fatal errors for VV and twin-range MTS commit | commitdiff | tree | snapshot
2014-05-22 Mark AbrahamClarified docs for use of mdrun -nstlist commit | commitdiff | tree | snapshot
2014-05-20 Mark AbrahamFix copyright years for new code commit | commitdiff | tree | snapshot
2014-05-20 Justin LemkulImprovements to the g_lie help description. commit | commitdiff | tree | snapshot
2014-05-20 Rossen ApostolovAdded a note about using direction-periodic pulling. commit | commitdiff | tree | snapshot
2014-05-20 Rossen ApostolovAdded a note about unsupported Verlet cutoff + Buckingham. commit | commitdiff | tree | snapshot
2014-05-20 Mark AbrahamAdd note about correct calling of wallcycle counter commit | commitdiff | tree | snapshot
2014-05-18 Mark AbrahamFix 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 AbrahamProhibit AVX_256 with buggy gcc 4.6.1 commit | commitdiff | tree | snapshot
2014-05-10 Roland SchulzMerge release-4-6 into release-5-0 commit | commitdiff | tree | snapshot
2014-05-09 Alexey ShvetsovFix clang 3.5 warnings regarding *abs* commit | commitdiff | tree | snapshot
2014-05-09 Berk HessMinor tweaks to the DD setup commit | commitdiff | tree | snapshot
2014-05-09 Roland SchulzFix comparison of array to NULL commit | commitdiff | tree | snapshot
2014-05-09 Roland SchulzMerge "Merge branch release-4-6 into release-5-0" into... commit | commitdiff | tree | snapshot
2014-05-09 Roland SchulzFix OpenMP scope error commit | commitdiff | tree | snapshot
2014-05-09 Roland SchulzFix OpenMP unproteced update bug commit | commitdiff | tree | snapshot
2014-05-05 Pino Toscanocmake: enable shared libraries by default on Hurd commit | commitdiff | tree | snapshot
2014-05-01 Teemu MurtolaFix incorrect limits in FloatOptionStorage commit | commitdiff | tree | snapshot
2014-04-30 Roland SchulzFix usage of gmx_eof commit | commitdiff | tree | snapshot
2014-04-29 Mark AbrahamMerge branch release-4-6 into release-5-0 commit | commitdiff | tree | snapshot
2014-04-29 Berk HessRemoved truncation of nrdf in v-rescale thermostat commit | commitdiff | tree | snapshot
2014-04-29 Justin LemkulMade ORCA compile. commit | commitdiff | tree | snapshot
2014-04-24 Magnus LundborgMore efficient TNG selection group creation commit | commitdiff | tree | snapshot
2014-04-23 Berk HessFixed nbnxn FE list allocation issue commit | commitdiff | tree | snapshot
2014-04-22 Roland SchulzFix memory error in asc format IO commit | commitdiff | tree | snapshot
2014-04-21 Michael ShirtsIssue warnings for potential switch w/o defining switch... commit | commitdiff | tree | snapshot
2014-04-16 Magnus LundborgFixed bug inverting compression precision. commit | commitdiff | tree | snapshot
2014-04-16 Roland SchulzFix whitespace commit | commitdiff | tree | snapshot
2014-04-16 Mark AbrahamFix and simplify version matching for running tests commit | commitdiff | tree | snapshot
2014-04-14 Roland SchulzImprove language choice commit | commitdiff | tree | snapshot
2014-04-10 Mark AbrahamMerge branch 'release-4-6' into release-5-0 commit | commitdiff | tree | snapshot
2014-04-10 Mark AbrahamFurther fix to gmx tune-pme commit | commitdiff | tree | snapshot
2014-04-09 Carlo CamilloniFixed g_rmsdist NOE calculation commit | commitdiff | tree | snapshot
2014-04-07 Mark AbrahamFix invalid dereference in g_tune_pme commit | commitdiff | tree | snapshot
2014-04-07 Erik LindahlMake sure water optimization is disabled for esoteric... commit | commitdiff | tree | snapshot
2014-04-07 Mark AbrahamVersion bump for 5.0-rc1 commit | commitdiff | tree | snapshot
2014-04-07 Teemu MurtolaDoxygen documentation for version.h commit | commitdiff | tree | snapshot
2014-04-04 Teemu MurtolaRemove ancient SGI-specific code commit | commitdiff | tree | snapshot
2014-04-04 Teemu MurtolaClean up gmx_fatal.* commit | commitdiff | tree | snapshot
2014-04-03 Mark AbrahamMove string-parsing code to where it can be reused commit | commitdiff | tree | snapshot
2014-04-02 Roland SchulzAdd 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 MurtolaMove string2.* to utility/cstringutil.* commit | commitdiff | tree | snapshot
2014-04-02 Mark AbrahamFixes for g_tune_pme for 5.0 commit | commitdiff | tree | snapshot
2014-04-02 Mark AbrahamFix bug accumulating nrank_pp_intranode on PME ranks commit | commitdiff | tree | snapshot
2014-04-02 Berk HessAdded LJ-PME and LJ Pot-switch to PME load estimate commit | commitdiff | tree | snapshot
2014-04-02 Mark AbrahamRe-use gmx_greatest_common_divisor() commit | commitdiff | tree | snapshot
2014-04-01 Teemu MurtolaMove smalloc.h to utility/ commit | commitdiff | tree | snapshot
2014-03-31 Teemu MurtolaRemove #include <...> for local files in gmx-view commit | commitdiff | tree | snapshot
2014-03-31 David van der... Fixed compilation issue in fgrid.cpp due to int/enum commit | commitdiff | tree | snapshot
2014-03-31 Mark AbrahamRemove quote commit | commitdiff | tree | snapshot
2014-03-31 Rossen ApostolovAdded CMake support for Extrae. commit | commitdiff | tree | snapshot
2014-03-31 Teemu MurtolaClean up smalloc.h commit | commitdiff | tree | snapshot
2014-03-31 Carsten KutznerFix documentation of swap/enums.h commit | commitdiff | tree | snapshot
2014-03-31 Teemu MurtolaMove some math headers away from legacyheaders/ commit | commitdiff | tree | snapshot
2014-03-31 Roland SchulzDisable shared libraries by default for mdrun-only commit | commitdiff | tree | snapshot
2014-03-31 Teemu MurtolaRemove dependency on commandline/ from oenv.cpp commit | commitdiff | tree | snapshot
2014-03-30 Teemu MurtolaClean up string2.h-related includes commit | commitdiff | tree | snapshot
2014-03-29 Christian WennbergFree-energy support for LJ-PME commit | commitdiff | tree | snapshot
2014-03-29 Teemu MurtolaOptimize intermodule dependencies commit | commitdiff | tree | snapshot
2014-03-29 Teemu MurtolaImprove version information handling commit | commitdiff | tree | snapshot
2014-03-29 Teemu MurtolaBetter include dependency graph generator commit | commitdiff | tree | snapshot
2014-03-28 Carsten KutznerFix documentation issues for interactive MD module. commit | commitdiff | tree | snapshot
2014-03-28 Christian WennbergNew VDW kernel flavour for LJ-PME and updated group... commit | commitdiff | tree | snapshot
2014-03-27 Teemu MurtolaMove include dependency checks to doc-check commit | commitdiff | tree | snapshot
2014-03-27 Teemu MurtolaBetter automated Doxygen documentation checker commit | commitdiff | tree | snapshot
2014-03-27 Teemu MurtolaMisc. Doxygen fixes commit | commitdiff | tree | snapshot
2014-03-27 Teemu MurtolaMove thread_mpi to src/external/ commit | commitdiff | tree | snapshot
2014-03-26 Mark AbrahamFix use of inline in IMD commit | commitdiff | tree | snapshot
2014-03-26 Daniel LandauAdd Cray compiler support commit | commitdiff | tree | snapshot
2014-03-26 Carsten KutznerDocumentation house-keeping in file swapcoords.c commit | commitdiff | tree | snapshot
2014-03-26 Martin HoeflingInteractive Molecular Dynamics (IMD) commit | commitdiff | tree | snapshot
2014-03-24 Berk HessAdds cut-off checks for triclinic domain decomposition commit | commitdiff | tree | snapshot
2014-03-24 Teemu MurtolaRemove gmxpreprocess from include path commit | commitdiff | tree | snapshot
2014-03-23 Mark AbrahamKeep CMake quiet about non-detection of optional stuff commit | commitdiff | tree | snapshot
2014-03-23 Mark AbrahamMerge branch release-4-6 commit | commitdiff | tree | snapshot
2014-03-23 Berk HessFixed bug in parallel v/f constraining commit | commitdiff | tree | snapshot
2014-03-23 Berk HessCUDA cut-off kernels now shift exclusion energies commit | commitdiff | tree | snapshot
2014-03-23 Mark AbrahamFix print_date_and_time commit | commitdiff | tree | snapshot
2014-03-18 Roland SchulzFix dependencies on config.h for typedefs.h commit | commitdiff | tree | snapshot
2014-03-18 Mark AbrahamRevert "Added new amber99sb-ildn-bsc0 force field." commit | commitdiff | tree | snapshot
2014-03-18 Christian WennbergRenaming in PME-routines commit | commitdiff | tree | snapshot
next
Local GROMACS mirror with custom stuff