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Add initial support for python bindings
[alexxy/gromacs.git] / src /
2014-09-01 Magnus LundborgWhen writing TNG include file closing in wallcycle. tree | commitdiff
2014-09-01 Mark AbrahamMerge "Merge branch release-4-6 into release-5-0" into... tree | commitdiff
2014-09-01 Mark AbrahamFixes and updates to BlueGene/Q support tree | commitdiff
2014-09-01 Mark AbrahamMerge branch release-4-6 into release-5-0 tree | commitdiff
2014-09-01 Mark AbrahamMerge "Merge branch release-4-6 into release-5-0" into... tree | commitdiff
2014-08-31 Erik LindahlAdded negative zero preprocessor constants tree | commitdiff
2014-08-30 David van der SpoelFixes issue with vsiten and verlet buffers. tree | commitdiff
2014-08-29 Mark AbrahamMerge branch release-4-6 into release-5-0 tree | commitdiff
2014-08-28 Berk HessFixed two PME issues with MPI+OpenMP tree | commitdiff
2014-08-25 Berk HessFixed bugs in vsiteN with OpenMP tree | commitdiff
2014-08-25 Roland SchulzMerge release-5-0 into master tree | commitdiff
2014-08-24 Berk HessInitialize unused velocity constraint components tree | commitdiff
2014-08-24 Teemu MurtolaPrecalculate pbc shift for analysis nbsearch tree | commitdiff
2014-08-24 Teemu MurtolaImprove analysis nbsearch grid mapping tree | commitdiff
2014-08-22 Mark AbrahamFix zlib usage with TNG tree | commitdiff
2014-08-22 Teemu MurtolaMove -nice handling to CommandLineModuleManager tree | commitdiff
2014-08-21 Magnus LundborgFixed TNG memory alignment problem and reset pointers. tree | commitdiff
2014-08-21 Mark AbrahamFix mis-use of fabs in LAPACK tree | commitdiff
2014-08-20 Teemu MurtolaMisc. gmxpre.h-related changes tree | commitdiff
2014-08-20 Teemu MurtolaMerge release-5-0 into master tree | commitdiff
2014-08-20 Erik LindahlAdd _GNU_SOURCE=1 to find clone() with PGI tree | commitdiff
2014-08-20 Roland SchulzChange error to warning for missing OMP_NUM_THREADS tree | commitdiff
2014-08-20 Erik LindahlFix matrix pointer dereference bug in update.c tree | commitdiff
2014-08-20 Erik LindahlEnable SIMD register calling convention with gmx_simdcall tree | commitdiff
2014-08-20 Erik LindahlAdd cycle counters for 64-bit ARM tree | commitdiff
2014-08-20 Teemu MurtolaRemove unused config.h defines tree | commitdiff
2014-08-19 Teemu MurtolaIntroduce gmxpre.h for truly global definitions tree | commitdiff
2014-08-18 Roland SchulzFix nbnxn templates tree | commitdiff
2014-08-17 Roland SchulzRemove check that auto-generated files exist tree | commitdiff
2014-08-17 Erik LindahlFix Portland compiler warnings tree | commitdiff
2014-08-17 Berk HessHalved the cost of the pull communication tree | commitdiff
2014-08-17 Roland SchulzDon't build tests until they are run tree | commitdiff
2014-08-17 Roland SchulzUse full path for legacyheaders tree | commitdiff
2014-08-17 Mark AbrahamRemove mdrun -seppot tree | commitdiff
2014-08-16 Mark AbrahamFix gmx tune_pme with LJ-PME tree | commitdiff
2014-08-16 Mark AbrahamFix wallcycle counting with md-vv, sd and sd2 tree | commitdiff
2014-08-16 Teemu MurtolaDisable analysisdata generic tests if not compilable tree | commitdiff
2014-08-16 Roland SchulzMerge release-5-0 into master tree | commitdiff
2014-08-15 Carsten KutznerFixed output of eigenvalues in g_covar. Fixes #1575 tree | commitdiff
2014-08-14 Berk HessCorrected SIMD math overflow documentation tree | commitdiff
2014-08-14 Teemu MurtolaFix CMake package config after recent version changes tree | commitdiff
2014-08-13 Teemu MurtolaUse native CMake mechanism for find_package(GROMACS) tree | commitdiff
2014-08-13 Teemu MurtolaReorganize CMake version information management tree | commitdiff
2014-08-11 Roland SchulzMove some verlet headers to mdlib tree | commitdiff
2014-08-11 Stefan FleischmannAvoid stack overflow on Windows with CMake > 2.8.10.2 tree | commitdiff
2014-08-10 Erik LindahlImprove Gromacs portability tree | commitdiff
2014-08-10 Erik LindahlReplace __LP64__ with check for pointer size tree | commitdiff
2014-08-10 Berk HessAdded checks for TPI + Verlet scheme tree | commitdiff
2014-08-10 Teemu MurtolaImprove initAfterFirstFrame() usability tree | commitdiff
2014-08-10 Teemu MurtolaMake vec.h const-correct with both C and C++ tree | commitdiff
2014-08-10 Teemu MurtolaBasic exclusion support for analysis nbsearch tree | commitdiff
2014-08-10 Roland SchulzMerge release-4-6 into release-5-0 tree | commitdiff
2014-08-09 Teemu MurtolaAdd Selection::hasOnlyAtoms() tree | commitdiff
2014-08-07 Erik LindahlFix portability issue with ArrayRef initializer overloading tree | commitdiff
2014-08-07 Erik LindahlChanged names of test files to avoid Fujitsu compiler bug tree | commitdiff
2014-08-07 Teemu MurtolaBasic support for 2D neighborhood search for analysis tree | commitdiff
2014-08-05 Berk HessFix hang with LJ-PME and empty domains tree | commitdiff
2014-08-05 Roland SchulzWorkaround for ICC 14 tree | commitdiff
2014-08-04 Teemu MurtolaVerify MD5 sum for FFTW download tree | commitdiff
2014-08-03 Teemu MurtolaCheck frame atom count before evaluating selections tree | commitdiff
2014-08-02 Berk HessFixed PME bug with high OpenMP thread count tree | commitdiff
2014-08-01 Erik LindahlAdded tests for denormal and underflow for simd exp() tree | commitdiff
2014-07-31 Teemu MurtolaMerge "Merge release-5-0 into master" tree | commitdiff
2014-07-31 Roland SchulzReplace most strdup with gmx_strdup tree | commitdiff
2014-07-31 Roland SchulzMerge release-5-0 into master tree | commitdiff
2014-07-31 Berk HessAvoid division by 0 in nbnxn_search tree | commitdiff
2014-07-29 Mark AbrahamConverted md_support.c to C++ tree | commitdiff
2014-07-28 Christian WennbergFix overflow in LJ-PME nbnxn kernels tree | commitdiff
2014-07-28 Roland SchulzMerge "Merge release-5-0 into master" tree | commitdiff
2014-07-28 Roland SchulzMerge release-5-0 into master tree | commitdiff
2014-07-28 Roland SchulzAdd unit test for random/Threefry tree | commitdiff
2014-07-28 Roland SchulzRemove Random123/features tree | commitdiff
2014-07-27 Roland SchulzRemove individual cuda libraries tree | commitdiff
2014-07-27 Roland SchulzRemove memtest tree | commitdiff
2014-07-27 Erik LindahlFix selection of xtc groups not starting at index 0 tree | commitdiff
2014-07-25 Roland SchulzWorkaround for ICC 14 bug tree | commitdiff
2014-07-24 Teemu MurtolaDo not actually install uniqueptr.h tree | commitdiff
2014-07-23 Roland SchulzAdd support for int64 in refdata tree | commitdiff
2014-07-22 Roland SchulzFix GMX_BUILD_OWN_FFTW for Cygwin tree | commitdiff
2014-07-21 Roland SchulzFix GMX_NONBONDED_NUM_THREADS!=GMX_PAIRSEARCH_NUM_THREADS tree | commitdiff
2014-07-16 Mark AbrahamQuiet gcc-4.8 warnings about unused results tree | commitdiff
2014-07-16 Teemu MurtolaFix HTML help and man pages for commands with dashes tree | commitdiff
2014-07-12 Teemu MurtolaMake gmx_node_num/rank safer tree | commitdiff
2014-07-11 Teemu MurtolaFix HTML links that contain file extensions tree | commitdiff
2014-07-09 Roland SchulzAdd comments for code with race condition tree | commitdiff
2014-07-09 Teemu MurtolaClean up gmx_header_config tree | commitdiff
2014-07-09 Teemu MurtolaMerge release-5-0 into master tree | commitdiff
2014-07-09 Roland SchulzFix Cygwin build tree | commitdiff
2014-07-09 Roland SchulzRemove all unnecessary HAVE_CONFIG_H tree | commitdiff
2014-07-08 Erik LindahlMake IEEE754 check more robust tree | commitdiff
2014-07-08 Teemu MurtolaRemove PCA_QUIET tree | commitdiff
2014-07-08 Teemu MurtolaAdditional index group checks for selections tree | commitdiff
2014-07-08 Teemu MurtolaClean up program name handling in oenv tree | commitdiff
2014-07-08 Teemu MurtolaImprove FileNameOption error handling tree | commitdiff
2014-07-08 Teemu MurtolaMove GMX_CXX11 to config.h tree | commitdiff
2014-07-08 Teemu MurtolaRemove gmx_unique_ptr from options public headers tree | commitdiff
2014-07-08 Teemu MurtolaMake selections ignore \r in input tree | commitdiff
2014-07-08 Teemu MurtolaRemove selection help from SelectionCollection tree | commitdiff
2014-07-08 Teemu MurtolaChange some gmx_unique_ptr to shared_ptr in public... tree | commitdiff
2014-07-08 Mark AbrahamRemove bOK from MD loop tree | commitdiff
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