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alexxy/gromacs.git
2014-05-09 Roland SchulzFix OpenMP unproteced update bug 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 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
2014-04-16 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
2014-04-07 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
2014-03-18 Christian WennbergBugfix in LJ-PME without electrostatics commit | commitdiff | tree | snapshot
2014-03-18 Mark AbrahamRemoved more stuff related to gmx.ff and gmx2.ff commit | commitdiff | tree | snapshot
2014-03-18 Teemu MurtolaRemove interactive help from core selection parser commit | commitdiff | tree | snapshot
2014-03-18 Teemu MurtolaImprove interactive selection input commit | commitdiff | tree | snapshot
2014-03-17 Rossen ApostolovCleaned up endif/else-s in CMakeLists.txt and *.cmake... commit | commitdiff | tree | snapshot
2014-03-17 Mark AbrahamHouse-keeping for MTTK commit | commitdiff | tree | snapshot
2014-03-17 Mark AbrahamMerge "Merge branch release-4-6" commit | commitdiff | tree | snapshot
2014-03-17 Mark AbrahamMerge branch release-4-6 commit | commitdiff | tree | snapshot
2014-03-17 Mark AbrahamFix perturbation to Verlet scheme when not perturbing commit | commitdiff | tree | snapshot
2014-03-17 Teemu MurtolaUpdate manual analysis section commit | commitdiff | tree | snapshot
2014-03-16 Erik LindahlUse a constant instead of sizeof(int) for SSE2 immediat... commit | commitdiff | tree | snapshot
2014-03-14 Carsten KutznerAvoid cross product with zero vector in rotational... commit | commitdiff | tree | snapshot
2014-03-14 Carsten KutznerThe van der Waals radius must equal the Coulomb radius... commit | commitdiff | tree | snapshot
2014-03-11 Christoph JunghansInstall enums.h commit | commitdiff | tree | snapshot
2014-03-11 Mark AbrahamFix MKL linking commit | commitdiff | tree | snapshot
2014-03-11 Mark AbrahamAvoid array-bounds warnings with gcc 4.8.2 commit | commitdiff | tree | snapshot
2014-03-11 Rossen ApostolovRemoved .itp files from top level directory. commit | commitdiff | tree | snapshot
2014-03-11 Roland SchulzSimplify gmxTestLibXml2 commit | commitdiff | tree | snapshot
2014-03-11 Berk HessPME load balancing now works with LJ-PME commit | commitdiff | tree | snapshot
2014-03-11 Teemu MurtolaFix misc. Doxygen issues commit | commitdiff | tree | snapshot
2014-03-11 Roland SchulzDon't disable MSVC warnings in config.h commit | commitdiff | tree | snapshot
2014-03-11 Roland SchulzFix CheckCXXCompilerFlag commit | commitdiff | tree | snapshot
2014-03-11 Szilárd PállBump required CUDA version to 4.0 commit | commitdiff | tree | snapshot
2014-03-11 Roland SchulzReplace inline with gmx_inline commit | commitdiff | tree | snapshot
2014-03-10 Mark AbrahamFix dependency on swapcoords enums commit | commitdiff | tree | snapshot
2014-03-08 Teemu MurtolaRemove some unnecessary declarations commit | commitdiff | tree | snapshot
2014-03-06 Roland SchulzRemove KERNEL_WIDTH commit | commitdiff | tree | snapshot
2014-03-06 Rossen ApostolovRemoved the deprecated gmx.ff and gmx2.ff. commit | commitdiff | tree | snapshot
2014-03-06 Mark AbrahamFix formatting in install guide commit | commitdiff | tree | snapshot
2014-03-06 Mark AbrahamFix CMake syntax error commit | commitdiff | tree | snapshot
2014-03-06 Roland SchulzUse gmx_int64_t for gmx_off_t commit | commitdiff | tree | snapshot
2014-03-06 Berk HessFixed exit with FEP with PME nodes without LJ-PME commit | commitdiff | tree | snapshot
2014-03-06 ngogaMartini CG - Combined angle-torsion potentials commit | commitdiff | tree | snapshot
2014-03-06 David van der... Six new quotes from classic literature. commit | commitdiff | tree | snapshot
2014-03-05 Roland SchulzAdd RelWithAssert build type commit | commitdiff | tree | snapshot
2014-03-05 Roland SchulzRemove dependency on TNG in trxio.h commit | commitdiff | tree | snapshot
2014-03-05 Roland SchulzReport MIC SIMD correctly commit | commitdiff | tree | snapshot
2014-03-05 Mark AbrahamMerge "Merge release-4-6 into master" commit | commitdiff | tree | snapshot
2014-03-05 Berk HessBuffer estimate now works with rvd-switch=0 commit | commitdiff | tree | snapshot
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