alexxy/gromacs.git
2014-09-05 Teemu MurtolaMerge "Merge release-5-0 into master"
2014-09-05 Mark AbrahamVersion bumps after new release
2014-09-05 Mark AbrahamVersion 5.0.1
2014-09-05 Roland SchulzMerge release-5-0 into master
2014-09-04 Roland SchulzAdd Mingw warnings
2014-09-04 Roland SchulzSlight simplifcation of 2xnn
2014-09-04 Teemu MurtolaInclude config.h directly if used
2014-09-04 Teemu MurtolaMake doc-check silent for in-source build
2014-09-04 Teemu MurtolaMerge "Merge release-5-0 into master"
2014-09-04 Mark AbrahamCreated bonded module
2014-09-04 Erik LindahlK-computer specific modifications
2014-09-04 Christoph Junghanscmake: missing quote
2014-09-03 Roland SchulzMerge release-5-0 into master
2014-09-03 Roland SchulzFix MingW build
2014-09-03 Erik LindahlFixed sc_power==48 crash in single precision
2014-09-03 Mark AbrahamFix mis-use of fabs in LAPACK
2014-09-03 Mark AbrahamMore hacking to get the template to detect and build
2014-09-03 Roland SchulzFix that TNG tests were not run
2014-09-03 Erik LindahlFixed preprocessor error for AVX_128_FMA simd
2014-09-02 Erik LindahlFix formatting of fatal errors in g_bar
2014-09-02 Roland SchulzFix PRINT_ALLOC_KB output
2014-09-02 Magnus LundborgTNG Fix for GMX_DOUBLE builds and where ZLIB is not...
2014-09-02 Magnus LundborgFix data block length when uncompressing TNG data.
2014-09-02 Erik LindahlFixed string var expansion in CMake due to CMP0053
2014-09-01 Magnus LundborgTNG: Handle large files on 32 bit systems.
2014-09-01 Justin LemkulUpdated x-axis label for g_wham.
2014-09-01 Magnus LundborgWhen writing TNG include file closing in wallcycle.
2014-09-01 Mark AbrahamFix and document issues with template.cpp
2014-09-01 Mark AbrahamMerge "Merge branch release-4-6 into release-5-0" into...
2014-09-01 Mark AbrahamFixes and updates to BlueGene/Q support
2014-09-01 Mark AbrahamMerge branch release-4-6 into release-5-0
2014-09-01 Mark AbrahamMerge "Merge branch release-4-6 into release-5-0" into...
2014-08-31 Erik LindahlAdded negative zero preprocessor constants
2014-08-30 David van der... Fixes issue with vsiten and verlet buffers.
2014-08-29 Mark AbrahamVersion bump after 4.6.7
2014-08-29 Mark AbrahamMerge branch release-4-6 into release-5-0
2014-08-28 Berk HessFixed two PME issues with MPI+OpenMP
2014-08-25 Berk HessFixed bugs in vsiteN with OpenMP
2014-08-25 Roland SchulzMerge release-5-0 into master
2014-08-24 Berk HessInitialize unused velocity constraint components
2014-08-24 Teemu MurtolaPrecalculate pbc shift for analysis nbsearch
2014-08-24 Teemu MurtolaImprove analysis nbsearch grid mapping
2014-08-23 Teemu MurtolaBackport of 'Remove unused figures from share/html/'
2014-08-23 Mark AbrahamGeneralize markdown configuration machinery
2014-08-23 Mark AbrahamUnify documentation for webpage build
2014-08-22 Mark AbrahamFix zlib usage with TNG
2014-08-22 Teemu MurtolaMove -nice handling to CommandLineModuleManager
2014-08-21 Magnus LundborgFixed TNG memory alignment problem and reset pointers.
2014-08-21 Mark AbrahamFix mis-use of fabs in LAPACK
2014-08-20 Teemu MurtolaMisc. gmxpre.h-related changes
2014-08-20 Teemu MurtolaMerge release-5-0 into master
2014-08-20 Erik LindahlAdd _GNU_SOURCE=1 to find clone() with PGI
2014-08-20 Roland SchulzChange error to warning for missing OMP_NUM_THREADS
2014-08-20 Erik LindahlFix matrix pointer dereference bug in update.c
2014-08-20 Erik LindahlEnable SIMD register calling convention with gmx_simdcall
2014-08-20 Erik LindahlAdd cycle counters for 64-bit ARM
2014-08-20 Erik LindahlShorten plugin configuration message
2014-08-20 Teemu MurtolaRemove unused config.h defines
2014-08-19 Teemu MurtolaIntroduce gmxpre.h for truly global definitions
2014-08-18 Roland SchulzFix nbnxn templates
2014-08-18 Roland SchulzAdd Intel command line warning
2014-08-17 Roland SchulzRemove check that auto-generated files exist
2014-08-17 Erik LindahlFix Portland compiler warnings
2014-08-17 Berk HessHalved the cost of the pull communication
2014-08-17 Roland SchulzDon't build tests until they are run
2014-08-17 Roland SchulzUse full path for legacyheaders
2014-08-17 Mark AbrahamRemove mdrun -seppot
2014-08-16 Mark AbrahamFix gmx tune_pme with LJ-PME
2014-08-16 Mark AbrahamFix wallcycle counting with md-vv, sd and sd2
2014-08-16 Teemu MurtolaDisable analysisdata generic tests if not compilable
2014-08-16 Roland SchulzMerge release-5-0 into master
2014-08-15 Carsten KutznerFixed output of eigenvalues in g_covar. Fixes #1575
2014-08-14 Berk HessCorrected SIMD math overflow documentation
2014-08-14 Teemu MurtolaFix CMake package config after recent version changes
2014-08-13 Teemu MurtolaUse native CMake mechanism for find_package(GROMACS)
2014-08-13 Teemu MurtolaReorganize CMake version information management
2014-08-11 Roland SchulzMove some verlet headers to mdlib
2014-08-11 Mark AbrahamAdd depressing quote
2014-08-11 Stefan FleischmannAvoid stack overflow on Windows with CMake > 2.8.10.2
2014-08-10 Erik LindahlMake internal BLAS/LAPACK messages less noisy
2014-08-10 Erik LindahlImprove Gromacs portability
2014-08-10 Erik LindahlReplace __LP64__ with check for pointer size
2014-08-10 Berk HessAdded checks for TPI + Verlet scheme
2014-08-10 Roland SchulzCheck MD5sum for regressiontest
2014-08-10 Teemu MurtolaImprove initAfterFirstFrame() usability
2014-08-10 Teemu MurtolaMake vec.h const-correct with both C and C++
2014-08-10 Teemu MurtolaBasic exclusion support for analysis nbsearch
2014-08-10 Roland SchulzMerge release-4-6 into release-5-0
2014-08-09 Teemu MurtolaAdd Selection::hasOnlyAtoms()
2014-08-07 Erik LindahlFix portability issue with ArrayRef initializer overloading
2014-08-07 Erik LindahlChanged names of test files to avoid Fujitsu compiler bug
2014-08-07 Teemu MurtolaBasic support for 2D neighborhood search for analysis
2014-08-05 Berk HessFix hang with LJ-PME and empty domains
2014-08-05 Roland SchulzWorkaround for ICC 14
2014-08-04 Teemu MurtolaVerify MD5 sum for FFTW download
2014-08-03 Teemu MurtolaCheck frame atom count before evaluating selections
2014-08-02 Berk HessFixed PME bug with high OpenMP thread count
2014-08-01 Erik LindahlAdded tests for denormal and underflow for simd exp()
2014-07-31 Teemu MurtolaMerge "Merge release-5-0 into master"
2014-07-31 Roland SchulzReplace most strdup with gmx_strdup
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