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alexxy/gromacs.git
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 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
2014-03-05 Roland SchulzCheck zlib can actually be linked commit | commitdiff | tree | snapshot
2014-03-05 Roland SchulzAvoid segfault when comparing tpr commit | commitdiff | tree | snapshot
2014-03-04 Mark AbrahamAdd enum and docs for using tpx_version commit | commitdiff | tree | snapshot
2014-03-03 Roland SchulzMerge release-4-6 into master commit | commitdiff | tree | snapshot
2014-03-03 Mark AbrahamFix calling SIMD group kernels commit | commitdiff | tree | snapshot
2014-03-02 Teemu MurtolaFix incorrect grid cell size in g_sas -nopbc commit | commitdiff | tree | snapshot
2014-03-01 Teemu MurtolaMove default library path search to program context commit | commitdiff | tree | snapshot
2014-03-01 Mark AbrahamAdd fatal error for Andersen+constraints+DD commit | commitdiff | tree | snapshot
2014-03-01 Christoph Junghansswitch ld_seed from int to gmx_int64_t commit | commitdiff | tree | snapshot
2014-03-01 Szilard PallAdded CUDA LJ-PME nbnxn kernels commit | commitdiff | tree | snapshot
2014-03-01 Magnus LundborgBumped TNG to latest version. commit | commitdiff | tree | snapshot
2014-02-28 Szilard PallImproved CUDA non-bonded kernel performance commit | commitdiff | tree | snapshot
2014-02-28 Teemu MurtolaResidual SIMD Doxygen improvements commit | commitdiff | tree | snapshot
2014-02-28 Teemu MurtolaMisc. Doxygen configuration changes commit | commitdiff | tree | snapshot
2014-02-28 Teemu MurtolaConvert gmx-sas to the C++ framework commit | commitdiff | tree | snapshot
2014-02-28 Teemu MurtolaAdd support for non-uniform X axis in array data commit | commitdiff | tree | snapshot
2014-02-27 Teemu MurtolaImprove support for data sets in C++ tools commit | commitdiff | tree | snapshot
2014-02-27 Szilard PallCUDA kernels for switched LJ commit | commitdiff | tree | snapshot
2014-02-27 Teemu MurtolaImprove floating point comparisons in unit tests commit | commitdiff | tree | snapshot
2014-02-26 Roland SchulzRemove Cygwin+MingW from installguide commit | commitdiff | tree | snapshot
2014-02-26 Berk HessFree-energy now works with the Verlet scheme commit | commitdiff | tree | snapshot
2014-02-26 Alexey ShvetsovFix -Wmaybe-uninitialized warnings in some files commit | commitdiff | tree | snapshot
2014-02-26 Teemu MurtolaMisc. Doxygen build system improvements commit | commitdiff | tree | snapshot
2014-02-26 Erik LindahlAdded message to warn that group kernels are deprecated. commit | commitdiff | tree | snapshot
2014-02-26 Michael ShirtsUpdating and improving Andersen thermostat documentation commit | commitdiff | tree | snapshot
2014-02-26 Roland SchulzICC aliasing optimization flags commit | commitdiff | tree | snapshot
2014-02-26 Roland SchulzUse reduce in pme commit | commitdiff | tree | snapshot
2014-02-26 Erik LindahlRedesigned SIMD module and unit tests. commit | commitdiff | tree | snapshot
2014-02-26 Roland SchulzReplace all mdrun rngs with cycle based rng commit | commitdiff | tree | snapshot
2014-02-26 Teemu MurtolaFix GMX_PRIu32 and GMX_PRIu64 for MSVC commit | commitdiff | tree | snapshot
2014-02-26 Mark AbrahamAdd ThreadSanitizer build type commit | commitdiff | tree | snapshot
2014-02-25 Berk HessFixes seperate PME nodes without LJ-PME commit | commitdiff | tree | snapshot
2014-02-25 Mark AbrahamKeep compilers happy on BG/Q commit | commitdiff | tree | snapshot
2014-02-24 Mark AbrahamClean up options for domain decomposition commit | commitdiff | tree | snapshot
2014-02-24 Berk HessImplemented LJ-PME nbnxn kernels commit | commitdiff | tree | snapshot
2014-02-24 Berk HessFixed bug with LJ pot-switch in 4xN kernels commit | commitdiff | tree | snapshot
2014-02-24 Mark AbrahamPermit warning-free use of Andersen thermostat commit | commitdiff | tree | snapshot
2014-02-24 Mark AbrahamSuppress icc warning for Boost 1.55 use of #pragma... commit | commitdiff | tree | snapshot
2014-02-23 Rossen ApostolovRemoved deprecated Encad FF. commit | commitdiff | tree | snapshot
2014-02-21 Roland SchulzFix load_lj_pair_params2 for MIC commit | commitdiff | tree | snapshot
2014-02-21 Roland SchulzUpdated Boost to latest 1.55.0 commit | commitdiff | tree | snapshot
2014-02-21 Roland SchulzMerge "Merge release-4-6 into master" commit | commitdiff | tree | snapshot
2014-02-21 Nina FischerAdded new amber99sb-ildn-bsc0 force field. commit | commitdiff | tree | snapshot
2014-02-21 Szilard Pallportability aspects in install guide + minor tweaks commit | commitdiff | tree | snapshot
2014-02-21 Roland SchulzMerge release-4-6 into master commit | commitdiff | tree | snapshot
2014-02-21 Mark AbrahamReinstate shell code with DD commit | commitdiff | tree | snapshot
2014-02-20 Mark AbrahamRemove particle decomposition commit | commitdiff | tree | snapshot
2014-02-20 Christoph Junghansadded gmx_is_{single,double}_precision commit | commitdiff | tree | snapshot
2014-02-20 Roland SchulzFix aligned store to unaligned memory commit | commitdiff | tree | snapshot
2014-02-20 Mark Abrahamavoid mdrun crash when rdtscp is not supported commit | commitdiff | tree | snapshot
2014-02-20 Mark AbrahamAdd integration tests for replica exchange commit | commitdiff | tree | snapshot
2014-02-20 Rossen ApostolovRename ffopen and ffclose to gmx_ff*. commit | commitdiff | tree | snapshot
2014-02-20 Roland SchulzFix Reference Build commit | commitdiff | tree | snapshot
2014-02-20 Teemu MurtolaAdd documentation for using Doxygen commit | commitdiff | tree | snapshot
2014-02-19 Berk HessImplemented nbnxn LJ switch functions commit | commitdiff | tree | snapshot
2014-02-19 Mark AbrahamMake some variable names less cryptic commit | commitdiff | tree | snapshot
2014-02-18 Mark AbrahamFix outstanding references to "CPU acceleration" commit | commitdiff | tree | snapshot
2014-02-18 Mark AbrahamFix harmless bug with combination of group and twin... commit | commitdiff | tree | snapshot
2014-02-18 Mark AbrahamExtend TestFileManager commit | commitdiff | tree | snapshot
2014-02-17 Roland SchulzEnable more warnings commit | commitdiff | tree | snapshot
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