alexxy/gromacs.git
2014-02-26 Erik LindahlRedesigned SIMD module and unit tests.
2014-02-26 Roland SchulzReplace all mdrun rngs with cycle based rng
2014-02-26 Teemu MurtolaFix GMX_PRIu32 and GMX_PRIu64 for MSVC
2014-02-26 Mark AbrahamAdd ThreadSanitizer build type
2014-02-25 Berk HessFixes seperate PME nodes without LJ-PME
2014-02-25 Mark AbrahamKeep compilers happy on BG/Q
2014-02-24 Mark AbrahamClean up options for domain decomposition
2014-02-24 Berk HessImplemented LJ-PME nbnxn kernels
2014-02-24 Berk HessFixed bug with LJ pot-switch in 4xN kernels
2014-02-24 Mark AbrahamSuppress icc warning for Boost 1.55 use of #pragma...
2014-02-23 Rossen ApostolovRemoved deprecated Encad FF.
2014-02-21 Roland SchulzFix load_lj_pair_params2 for MIC
2014-02-21 Roland SchulzUpdated Boost to latest 1.55.0
2014-02-21 Roland SchulzMerge "Merge release-4-6 into master"
2014-02-21 Nina FischerAdded new amber99sb-ildn-bsc0 force field.
2014-02-21 Roland SchulzMerge release-4-6 into master
2014-02-21 Mark AbrahamReinstate shell code with DD
2014-02-20 Mark AbrahamRemove particle decomposition
2014-02-20 Christoph Junghansadded gmx_is_{single,double}_precision
2014-02-20 Roland SchulzFix aligned store to unaligned memory
2014-02-20 Mark Abrahamavoid mdrun crash when rdtscp is not supported
2014-02-20 Mark AbrahamAdd integration tests for replica exchange
2014-02-20 Rossen ApostolovRename ffopen and ffclose to gmx_ff*.
2014-02-20 Roland SchulzFix Reference Build
2014-02-20 Teemu MurtolaAdd documentation for using Doxygen
2014-02-19 Berk HessImplemented nbnxn LJ switch functions
2014-02-19 Mark AbrahamMake some variable names less cryptic
2014-02-18 Mark AbrahamFix outstanding references to "CPU acceleration"
2014-02-18 Mark AbrahamFix harmless bug with combination of group and twin...
2014-02-18 Mark AbrahamExtend TestFileManager
2014-02-17 Roland SchulzEnable more warnings
2014-02-16 Mark AbrahamFix test reference data accidentally broken
2014-02-16 Mark AbrahamRemove support for .g87 and .xyz I/O formats
2014-02-16 Carsten KutznerSmall enhancement of computational electrophysiology...
2014-02-16 Teemu MurtolaImprove man page formatting slightly
2014-02-16 Teemu MurtolaFix default enum values in help output
2014-02-15 Teemu MurtolaFix some broken links in HTML pages
2014-02-13 Magnus LundborgOne more bump of the TNG version.
2014-02-13 Magnus LundborgRemoved option to use OpenMP with the TNG library.
2014-02-12 Magnus LundborgEnable TNG builds on Windows by default.
2014-02-12 Magnus LundborgBumped TNG to latest version.
2014-02-12 Mark AbrahamRefactored 'solvate' and 'insert-molecules'
2014-02-12 Mark AbrahamRe-fix compiler warnings with scanner.cpp
2014-02-11 Mark AbrahamSplit genbox into 'solvate' and 'insert-molecules'
2014-02-11 David van der... Fixed another vmdio issue.
2014-02-11 Mark AbrahamUpdate stuff for old BlueGene
2014-02-11 Erik LindahlFirst part of commit for redesigned SIMD module - namec...
2014-02-11 Magnus LundborgAdded information about how to cite the TNG paper.
2014-02-11 Jan Henning... Added safety check for fitting group in anaeig.
2014-02-10 David van der... Moved conditional cmake code for vmdio.
2014-02-09 Teemu MurtolaShell completions through Options
2014-02-09 Mark AbrahamMove orientation restraints checks inside init function
2014-02-09 Teemu MurtolaMake 'gmx -h' invariant wrt. provided options
2014-02-09 Teemu MurtolaRemove old help formatting code
2014-02-09 Teemu MurtolaMake FileNameOption behave more like old filenm parser
2014-02-09 Teemu MurtolaImplement synopsis for help output
2014-02-09 Teemu MurtolaRefactor new help formatting implementation
2014-02-08 Mark AbrahamClean up .log file dump of inputrec
2014-02-08 Mark AbrahamIssue fatal errors rather than use broken shell code
2014-02-08 Teemu MurtolaFix & update docs for GMX_TEST_OPTIONS
2014-02-07 Mark AbrahamInitialize inputrec better in genbox
2014-02-06 Teemu MurtolaFix build of share/template when installed
2014-02-06 Michael ShirtsEE dhdl header should not specify one lambda
2014-02-06 Mark AbrahamRemove antiquated and unused gmxpar.tex documentation
2014-02-06 Roland SchulzUse random seeds by default
2014-02-05 Mark AbrahamUpdate description of genrestr
2014-02-04 Roland SchulzFix and simplify rpath
2014-02-04 Mark AbrahamUse feature to explain that tpbconv has moved
2014-02-03 Christoph Junghanscmake eats slashes
2014-02-03 Mark AbrahamAdd hack to fix genbox
2014-02-03 Mark AbrahamClean up genbox and associated code
2014-02-03 Teemu MurtolaMerge "Merge release-4-6 into master"
2014-02-03 Teemu MurtolaOptimize Doxygen build
2014-02-03 Mark AbrahamImproved wallcycle reporting
2014-02-02 Roland SchulzMerge release-4-6 into master
2014-02-02 Teemu MurtolaFix segfault in 'gmx -h'
2014-02-02 Teemu MurtolaGet rid of src/programs/gmx/
2014-02-02 Teemu MurtolaSimplify Options::setDescription() usage
2014-02-02 Teemu MurtolaExtend valgrind suppressions for OpenMPI
2014-02-01 Erik LindahlAdded AVX2 detection to cmake and created CPU accelerat...
2014-02-01 Teemu MurtolaFix some issues reported by 'make depcheck doccheck'
2014-02-01 Erik LindahlUse pseudo-random instead of random streams to intializ...
2014-01-31 Teemu MurtolaOverview docs for unit testing
2014-01-30 Roland SchulzAdd cmake option for Reference kernel
2014-01-30 Mark AbrahamMinor improvements to ewald_LRcorrection
2014-01-30 Berk HessMade reference SIMD work again
2014-01-30 Teemu MurtolaFix shell completions of ffMULT options
2014-01-30 Teemu MurtolaOverview docs for wrapper binary implementation
2014-01-30 Teemu MurtolaOverview docs for using Gromacs as a library
2014-01-30 Teemu MurtolaRename ProgramInfo to CommandLineProgramContext
2014-01-30 Teemu MurtolaRefactor ProgramInfo use
2014-01-30 Rossen ApostolovRemoved ions.itp from GMX/share/top directory.
2014-01-30 Teemu MurtolaMove command listing to 'gmx help commands'
2014-01-30 Roland SchulzAllocate memory for MD5 on heap
2014-01-29 Mark AbrahamImproved dependencies on maths includes
2014-01-29 Mark AbrahamKeep clang Address Sanitizer happy
2014-01-29 Teemu MurtolaFixes to filename shell completions
2014-01-29 Roland SchulzUncrustify all files
2014-01-29 Teemu MurtolaPrint common options to 'gmx -h'
2014-01-29 Justin LemkulClarified use of table-extension..
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