alexxy/gromacs.git
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.
2014-02-10 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 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 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..
2014-01-29 Berk HessAutomated Verlet rlist for NVE simulations
2014-01-29 Teemu MurtolaMerge "Merge branch 'release-4-6'"
2014-01-28 David van der... Moved random number generator code to separate dir.
2014-01-28 Mark AbrahamMerge branch 'release-4-6'
2014-01-28 Carsten KutznerAllow for "computational electrophysiology" simulations...
2014-01-28 Christoph Junghanscmake: added FFTW_URL to allow easy offline build
2014-01-28 Rossen ApostolovBump own fftw build to version 3.3.3
2014-01-28 Mark AbrahamRemove "gmx trjconv -app"
2014-01-28 Mark AbrahamRemove unused fplog
2014-01-28 Teemu MurtolaShell completion export from the wrapper binary
2014-01-28 Mark AbrahamUnify logic for timing counts
2014-01-28 Szilárd Pállclarified OpenMP-related things in mdrun help/man
2014-01-28 Teemu MurtolaExtend version information output
2014-01-27 Mark AbrahamDon't number a list manually
2014-01-27 Teemu MurtolaSimplify ProgramInfo
2014-01-23 Mark AbrahamBreak dependency of fileio on tools
2014-01-22 Mark AbrahamUpdate libxml2 CMake detection
2014-01-22 Christian WennbergBug-fix in long-range correction for LJ-PME
2014-01-22 Teemu MurtolaUse local ProgramInfo in CommandLineModuleManager
2014-01-21 Mark AbrahamMove more preprocessing files into the module
2014-01-21 Rossen ApostolovFixed wrong message when building own FFTW.
2014-01-21 Roland SchulzFix race conditions
2014-01-21 Mark AbrahamEnsure we don't #define constants before system headers
2014-01-21 Justin LemkulAdded ASPP and GLUP to residuetypes.dat.
2014-01-21 Mark AbrahamRemove hidden option to gmx dump
next