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Made ORCA compile.
[alexxy/gromacs.git] / src /
2014-04-29 Justin LemkulMade ORCA compile. tree | commitdiff
2014-04-24 Magnus LundborgMore efficient TNG selection group creation tree | commitdiff
2014-04-23 Berk HessFixed nbnxn FE list allocation issue tree | commitdiff
2014-04-16 Magnus LundborgFixed bug inverting compression precision. tree | commitdiff
2014-04-16 Roland SchulzFix whitespace tree | commitdiff
2014-04-14 Roland SchulzImprove language choice tree | commitdiff
2014-04-10 Mark AbrahamMerge branch 'release-4-6' into release-5-0 tree | commitdiff
2014-04-10 Mark AbrahamFurther fix to gmx tune-pme tree | commitdiff
2014-04-07 Mark AbrahamFix invalid dereference in g_tune_pme tree | commitdiff
2014-04-07 Erik LindahlMake sure water optimization is disabled for esoteric... tree | commitdiff
2014-04-07 Teemu MurtolaDoxygen documentation for version.h tree | commitdiff
2014-04-04 Teemu MurtolaRemove ancient SGI-specific code tree | commitdiff
2014-04-04 Teemu MurtolaClean up gmx_fatal.* tree | commitdiff
2014-04-03 Mark AbrahamMove string-parsing code to where it can be reused tree | commitdiff
2014-04-02 David van der SpoelRemoved possibility of compiling with GSL. tree | commitdiff
2014-04-02 Teemu MurtolaMove string2.* to utility/cstringutil.* tree | commitdiff
2014-04-02 Mark AbrahamFixes for g_tune_pme for 5.0 tree | commitdiff
2014-04-02 Mark AbrahamFix bug accumulating nrank_pp_intranode on PME ranks tree | commitdiff
2014-04-02 Berk HessAdded LJ-PME and LJ Pot-switch to PME load estimate tree | commitdiff
2014-04-02 Mark AbrahamRe-use gmx_greatest_common_divisor() tree | commitdiff
2014-04-01 Teemu MurtolaMove smalloc.h to utility/ tree | commitdiff
2014-03-31 Teemu MurtolaRemove #include <...> for local files in gmx-view tree | commitdiff
2014-03-31 David van der SpoelFixed compilation issue in fgrid.cpp due to int/enum tree | commitdiff
2014-03-31 Rossen ApostolovAdded CMake support for Extrae. tree | commitdiff
2014-03-31 Teemu MurtolaClean up smalloc.h tree | commitdiff
2014-03-31 Carsten KutznerFix documentation of swap/enums.h tree | commitdiff
2014-03-31 Teemu MurtolaMove some math headers away from legacyheaders/ tree | commitdiff
2014-03-31 Teemu MurtolaRemove dependency on commandline/ from oenv.cpp tree | commitdiff
2014-03-30 Teemu MurtolaClean up string2.h-related includes tree | commitdiff
2014-03-29 Christian WennbergFree-energy support for LJ-PME tree | commitdiff
2014-03-29 Teemu MurtolaOptimize intermodule dependencies tree | commitdiff
2014-03-29 Teemu MurtolaImprove version information handling tree | commitdiff
2014-03-28 Carsten KutznerFix documentation issues for interactive MD module. tree | commitdiff
2014-03-28 Christian WennbergNew VDW kernel flavour for LJ-PME and updated group... tree | commitdiff
2014-03-27 Teemu MurtolaMisc. Doxygen fixes tree | commitdiff
2014-03-27 Teemu MurtolaMove thread_mpi to src/external/ tree | commitdiff
2014-03-26 Mark AbrahamFix use of inline in IMD tree | commitdiff
2014-03-26 Daniel LandauAdd Cray compiler support tree | commitdiff
2014-03-26 Carsten KutznerDocumentation house-keeping in file swapcoords.c tree | commitdiff
2014-03-26 Martin HoeflingInteractive Molecular Dynamics (IMD) tree | commitdiff
2014-03-24 Berk HessAdds cut-off checks for triclinic domain decomposition tree | commitdiff
2014-03-24 Teemu MurtolaRemove gmxpreprocess from include path tree | commitdiff
2014-03-23 Mark AbrahamMerge branch release-4-6 tree | commitdiff
2014-03-23 Berk HessFixed bug in parallel v/f constraining tree | commitdiff
2014-03-23 Berk HessCUDA cut-off kernels now shift exclusion energies tree | commitdiff
2014-03-23 Mark AbrahamFix print_date_and_time tree | commitdiff
2014-03-18 Roland SchulzFix dependencies on config.h for typedefs.h tree | commitdiff
2014-03-18 Christian WennbergRenaming in PME-routines tree | commitdiff
2014-03-18 Christian WennbergBugfix in LJ-PME without electrostatics tree | commitdiff
2014-03-18 Teemu MurtolaRemove interactive help from core selection parser tree | commitdiff
2014-03-18 Teemu MurtolaImprove interactive selection input tree | commitdiff
2014-03-17 Rossen ApostolovCleaned up endif/else-s in CMakeLists.txt and *.cmake... tree | commitdiff
2014-03-17 Mark AbrahamHouse-keeping for MTTK tree | commitdiff
2014-03-17 Mark AbrahamMerge "Merge branch release-4-6" tree | commitdiff
2014-03-17 Mark AbrahamMerge branch release-4-6 tree | commitdiff
2014-03-17 Mark AbrahamFix perturbation to Verlet scheme when not perturbing tree | commitdiff
2014-03-16 Erik LindahlUse a constant instead of sizeof(int) for SSE2 immediat... tree | commitdiff
2014-03-14 Carsten KutznerAvoid cross product with zero vector in rotational... tree | commitdiff
2014-03-14 Carsten KutznerThe van der Waals radius must equal the Coulomb radius... tree | commitdiff
2014-03-11 Christoph JunghansInstall enums.h tree | commitdiff
2014-03-11 Mark AbrahamAvoid array-bounds warnings with gcc 4.8.2 tree | commitdiff
2014-03-11 Rossen ApostolovRemoved .itp files from top level directory. tree | commitdiff
2014-03-11 Berk HessPME load balancing now works with LJ-PME tree | commitdiff
2014-03-11 Teemu MurtolaFix misc. Doxygen issues tree | commitdiff
2014-03-11 Roland SchulzDon't disable MSVC warnings in config.h tree | commitdiff
2014-03-11 Roland SchulzReplace inline with gmx_inline tree | commitdiff
2014-03-10 Mark AbrahamFix dependency on swapcoords enums tree | commitdiff
2014-03-08 Teemu MurtolaRemove some unnecessary declarations tree | commitdiff
2014-03-06 Rossen ApostolovRemoved the deprecated gmx.ff and gmx2.ff. tree | commitdiff
2014-03-06 Roland SchulzUse gmx_int64_t for gmx_off_t tree | commitdiff
2014-03-06 Berk HessFixed exit with FEP with PME nodes without LJ-PME tree | commitdiff
2014-03-06 ngogaMartini CG - Combined angle-torsion potentials tree | commitdiff
2014-03-05 Roland SchulzRemove dependency on TNG in trxio.h tree | commitdiff
2014-03-05 Roland SchulzReport MIC SIMD correctly tree | commitdiff
2014-03-05 Mark AbrahamMerge "Merge release-4-6 into master" tree | commitdiff
2014-03-05 Berk HessBuffer estimate now works with rvd-switch=0 tree | commitdiff
2014-03-05 Roland SchulzAvoid segfault when comparing tpr tree | commitdiff
2014-03-04 Mark AbrahamAdd enum and docs for using tpx_version tree | commitdiff
2014-03-03 Roland SchulzMerge release-4-6 into master tree | commitdiff
2014-03-03 Mark AbrahamFix calling SIMD group kernels tree | commitdiff
2014-03-02 Teemu MurtolaFix incorrect grid cell size in g_sas -nopbc tree | commitdiff
2014-03-01 Teemu MurtolaMove default library path search to program context tree | commitdiff
2014-03-01 Mark AbrahamAdd fatal error for Andersen+constraints+DD tree | commitdiff
2014-03-01 Christoph Junghansswitch ld_seed from int to gmx_int64_t tree | commitdiff
2014-03-01 Szilard PallAdded CUDA LJ-PME nbnxn kernels tree | commitdiff
2014-03-01 Magnus LundborgBumped TNG to latest version. tree | commitdiff
2014-02-28 Szilard PallImproved CUDA non-bonded kernel performance tree | commitdiff
2014-02-28 Teemu MurtolaResidual SIMD Doxygen improvements tree | commitdiff
2014-02-28 Teemu MurtolaConvert gmx-sas to the C++ framework tree | commitdiff
2014-02-28 Teemu MurtolaAdd support for non-uniform X axis in array data tree | commitdiff
2014-02-27 Teemu MurtolaImprove support for data sets in C++ tools tree | commitdiff
2014-02-27 Szilard PallCUDA kernels for switched LJ tree | commitdiff
2014-02-27 Teemu MurtolaImprove floating point comparisons in unit tests tree | commitdiff
2014-02-26 Berk HessFree-energy now works with the Verlet scheme tree | commitdiff
2014-02-26 Alexey ShvetsovFix -Wmaybe-uninitialized warnings in some files tree | commitdiff
2014-02-26 Erik LindahlAdded message to warn that group kernels are deprecated. tree | commitdiff
2014-02-26 Roland SchulzUse reduce in pme tree | commitdiff
2014-02-26 Erik LindahlRedesigned SIMD module and unit tests. tree | commitdiff
2014-02-26 Roland SchulzReplace all mdrun rngs with cycle based rng tree | commitdiff
2014-02-26 Teemu MurtolaFix GMX_PRIu32 and GMX_PRIu64 for MSVC tree | commitdiff
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