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alexxy/gromacs.git
2014-06-19 Roland SchulzMerge release-5-0 into master commit | commitdiff | tree | snapshot
2014-06-19 Rossen ApostolovSmall typos in surface tension description. commit | commitdiff | tree | snapshot
2014-06-19 Magnus LundborgBumped the TNG library to the latest version. commit | commitdiff | tree | snapshot
2014-06-19 Roland SchulzDisable maybe-uninitialized warning commit | commitdiff | tree | snapshot
2014-06-18 Roland SchulzAdd ASAN build configuration commit | commitdiff | tree | snapshot
2014-06-18 Roland SchulzMerge release-5-0 into master commit | commitdiff | tree | snapshot
2014-06-18 Rossen ApostolovAdded reference to cmap in pdb2gmx. commit | commitdiff | tree | snapshot
2014-06-18 Mark AbrahamMade mdrun warn when generic kernels are used commit | commitdiff | tree | snapshot
2014-06-17 Rossen ApostolovSmall changes in appendix A of the manual. commit | commitdiff | tree | snapshot
2014-06-15 Teemu MurtolaConvert gmx_residuetype_t to a non-pointer commit | commitdiff | tree | snapshot
2014-06-15 Teemu MurtolaRemove unused figures from share/html/ commit | commitdiff | tree | snapshot
2014-06-14 Rossen ApostolovAdded tip5pe water model to oplsa. commit | commitdiff | tree | snapshot
2014-06-13 Roland SchulzMake nbnxn template and generated files match commit | commitdiff | tree | snapshot
2014-06-12 Rossen ApostolovCleanup environment variables. commit | commitdiff | tree | snapshot
2014-06-12 Erik LindahlRemoved undocumented -map and -mdata options from g_sham. commit | commitdiff | tree | snapshot
2014-06-12 Erik LindahlAlways write output from genion commit | commitdiff | tree | snapshot
2014-06-11 Berk HessDecoupled repl_ex_nst from nstcalcenergy commit | commitdiff | tree | snapshot
2014-06-11 David van der... Fixes bug where -e and -dt flags did not work anymore. commit | commitdiff | tree | snapshot
2014-06-10 Berk HessReplaced gmx_hostname_num by gmx_physicalnode_id_hash commit | commitdiff | tree | snapshot
2014-06-09 Rossen ApostolovInstall libraries in correct directories on multiarch... commit | commitdiff | tree | snapshot
2014-06-09 Berk HessSet make_ndx max name length and count to 1024 commit | commitdiff | tree | snapshot
2014-06-09 Erik LindahlFixed the output format of g_principal commit | commitdiff | tree | snapshot
2014-06-09 Erik LindahlModify single/double EPS to agree with ISO C commit | commitdiff | tree | snapshot
2014-06-07 David van der... Merge "Merge release-5-0 into master" commit | commitdiff | tree | snapshot
2014-06-07 David van der... Merge release-5-0 into master commit | commitdiff | tree | snapshot
2014-06-07 Teemu MurtolaClean up FileNameOptionStorage implementation commit | commitdiff | tree | snapshot
2014-06-07 Teemu MurtolaImprove (Selection|FileName)OptionManager handling commit | commitdiff | tree | snapshot
2014-06-07 Teemu MurtolaReplace all command line parsing with Options commit | commitdiff | tree | snapshot
2014-06-07 Teemu MurtolaMove residuetype handling to its own file. commit | commitdiff | tree | snapshot
2014-06-07 Teemu MurtolaRemove support for "old" index file format commit | commitdiff | tree | snapshot
2014-06-07 Teemu MurtolaMove index.* to topology/ commit | commitdiff | tree | snapshot
2014-06-07 Erik LindahlAdded package version to tng_io CMakelists.txt commit | commitdiff | tree | snapshot
2014-06-06 Mark AbrahamMerge release-4-6 into release-5-0 commit | commitdiff | tree | snapshot
2014-06-05 Berk HessFix constraint virial with multiple time stepping commit | commitdiff | tree | snapshot
2014-06-05 Mark AbrahamNew quotes commit | commitdiff | tree | snapshot
2014-06-05 Mark AbrahamMerge "Merge release-5-0 into master" commit | commitdiff | tree | snapshot
2014-06-04 Rossen ApostolovUpdated C-/N-terminal partial charges in Amber03.ff. commit | commitdiff | tree | snapshot
2014-06-03 Roland SchulzMerge release-5-0 into master commit | commitdiff | tree | snapshot
2014-06-03 Mark AbrahamUse RNG correctly for v-rescale thermostat commit | commitdiff | tree | snapshot
2014-06-03 Mark AbrahamConvert repl_ex.c to C++ commit | commitdiff | tree | snapshot
2014-06-02 Mark AbrahamConverted md.c to C++ commit | commitdiff | tree | snapshot
2014-06-02 Berk HessFixed g_energy Einstein viscosity commit | commitdiff | tree | snapshot
2014-06-02 David van der... Fixed wrong journal reference in manual commit | commitdiff | tree | snapshot
2014-06-02 Teemu MurtolaMove atomprop.* to topology/ 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
2014-05-31 Teemu MurtolaMove mtop_util.* and topsort.* to topology/ commit | commitdiff | tree | snapshot
2014-05-30 Mark AbrahamFinalize change from GMX_CPU_ACCELERATION to GMX_SIMD commit | commitdiff | tree | snapshot
2014-05-29 Teemu MurtolaRemove more uses of typedefs.h commit | commitdiff | tree | snapshot
2014-05-27 Roland SchulzMerge release-5-0 into master commit | commitdiff | tree | snapshot
2014-05-27 Roland SchulzMerge release-4-6 into release-5-0 commit | commitdiff | tree | snapshot
2014-05-25 Teemu MurtolaMove general functions out of typedefs.h commit | commitdiff | tree | snapshot
2014-05-25 Teemu MurtolaRemove some typedefs.h dependencies commit | commitdiff | tree | snapshot
2014-05-25 Teemu MurtolaMove types/topology.h to topology/ commit | commitdiff | tree | snapshot
2014-05-24 Rossen ApostolovSimplified section "Porting". commit | commitdiff | tree | snapshot
2014-05-24 Teemu MurtolaMove types/idef.h to topology/ commit | commitdiff | tree | snapshot
2014-05-24 Rossen ApostolovAllow trjconv to keep some box dimensions unchanged. commit | commitdiff | tree | snapshot
2014-05-24 Teemu MurtolaMove types/atoms.h to topology/ commit | commitdiff | tree | snapshot
2014-05-24 Teemu MurtolaMove types/ishift.h to pbcutil/ commit | commitdiff | tree | snapshot
2014-05-24 Teemu MurtolaMove invblock.* to topology/ commit | commitdiff | tree | snapshot
2014-05-24 Teemu MurtolaMove types/block.h to topology/ commit | commitdiff | tree | snapshot
2014-05-24 Teemu MurtolaMove symtab.* to topology/ commit | commitdiff | tree | snapshot
2014-05-24 Teemu MurtolaMerge t_symtab into symtab.h commit | commitdiff | tree | snapshot
2014-05-24 Teemu MurtolaMove pbc.* to pbcutil/ commit | commitdiff | tree | snapshot
2014-05-24 Mark AbrahamMove tools code to where it is used commit | commitdiff | tree | snapshot
2014-05-22 Roland SchulzFix memory issue in solvate commit | commitdiff | tree | snapshot
2014-05-22 Roland SchulzAdd ASAN build configuration commit | commitdiff | tree | snapshot
2014-05-22 Teemu MurtolaMove cinvsqrtdata.c to math/ and remove Fortran remnants 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
2014-05-22 Teemu MurtolaMerge t_pbc definition into pbc.h commit | commitdiff | tree | snapshot
2014-05-22 Mark AbrahamRefactor string handling for GPU usage report commit | commitdiff | tree | snapshot
2014-05-21 Teemu MurtolaMove mshift.* to pbcutil/ commit | commitdiff | tree | snapshot
2014-05-21 Teemu MurtolaMerge t_graph definition into mshift.h commit | commitdiff | tree | snapshot
2014-05-20 Mark AbrahamFix copyright years for new code commit | commitdiff | tree | snapshot
2014-05-20 Teemu MurtolaMove rmpbc.* to pbcutil/ 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
2014-05-19 Mark AbrahamConvert gmx_detect_hardware.c to C++ commit | commitdiff | tree | snapshot
2014-05-18 Mark AbrahamFix indenting of .tpr parameter dump in mdrun log file commit | commitdiff | tree | snapshot
2014-05-18 Teemu MurtolaClean up matio.* commit | commitdiff | tree | snapshot
2014-05-18 Teemu MurtolaMove 3dview.* to programs/view/ commit | commitdiff | tree | snapshot
2014-05-18 Teemu MurtolaClean up math/ commit | commitdiff | tree | snapshot
2014-05-17 Roland SchulzClean-up gmx_eof commit | commitdiff | tree | snapshot
2014-05-17 Teemu MurtolaMore elaborate default handling for FileNameOption commit | commitdiff | tree | snapshot
2014-05-17 Teemu MurtolaUnit tests for parse_common_args() file options commit | commitdiff | tree | snapshot
2014-05-16 David van der... Fixes a complicated bug in g_anaeig. commit | commitdiff | tree | snapshot
2014-05-15 David van der... Added cmake profiling support commit | commitdiff | tree | snapshot
2014-05-14 Teemu MurtolaMove physics.* to math/units.* commit | commitdiff | tree | snapshot
2014-05-14 Roland SchulzMerge "Merge release-5-0 into master" commit | commitdiff | tree | snapshot
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