Moved conditional cmake code for vmdio.
[alexxy/gromacs.git] / src /
2014-02-10 David van der SpoelMoved 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 Michael ShirtsEE dhdl header should not specify one lambda
2014-02-06 Roland SchulzUse random seeds by default
2014-02-05 Mark AbrahamUpdate description of genrestr
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 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
2014-02-01 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...
2014-01-30 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 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 Berk HessAutomated Verlet rlist for NVE simulations
2014-01-29 Teemu MurtolaMerge "Merge branch 'release-4-6'"
2014-01-28 David van der SpoelMoved 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 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 Mark AbrahamRemove hidden option to gmx dump
2014-01-21 Teemu MurtolaRemove unused split.h
2014-01-21 Teemu MurtolaImprove file name option help
2014-01-20 Mark AbrahamRemove various outdated things from the repo
2014-01-20 Mark AbrahamRename 'gmx tpbconv' to 'gmx convert-tpr'
2014-01-20 Teemu MurtolaFix test reference data
2014-01-20 Teemu MurtolaRewrite help output from Options
2014-01-20 Magnus LundborgAdd TNG writing and reading support
2014-01-19 Teemu MurtolaFix installed headers
2014-01-19 Teemu MurtolaMove md5.* to fileio/
2014-01-19 Teemu MurtolaMove strdb.* to src/gromacs/fileio/
2014-01-19 Mark AbrahamClean up after gmxcpp
2014-01-19 Mark AbrahamMove dump, check and tpbconv utilities
2014-01-18 David van der SpoelThis patch moves the statistics library to its own...
2014-01-17 Mark AbrahamFix, simplify and test XTC writing
2014-01-17 David van der SpoelThis patch moves preprocessing headers to gmxpreprocess
2014-01-17 Roland SchulzDefine MPI_INT64_T if not defined by mpi
2014-01-17 Mark AbrahamClean up inputrec reading
2014-01-16 Teemu MurtolaFix build with GMX_BUILD_UNITTESTS=OFF
2014-01-15 Teemu MurtolaSupport for 64-bit int and real valued Options
2014-01-15 Teemu MurtolaRemove unused PCA_KEEP_ARGS
2014-01-15 Teemu MurtolaUnit tests for parse_common_args()
2014-01-15 Roland SchulzAdd nbnxn tree force reduction
2014-01-15 Teemu MurtolaSimplify C array handling in C++ code
2014-01-15 David van der SpoelThis patch moves the nrama.[ch] to the gmxana dir.
2014-01-15 Teemu MurtolaReorganize shared unit test code
2014-01-14 Teemu MurtolaDon't install links.dat
2014-01-14 Teemu MurtolaSplit CommandLineHelpModule into a separate file
2014-01-14 Teemu MurtolaFix line wrapping for long options
2014-01-14 Mark AbrahamRemove useless trjcat -prec option
2014-01-13 Carsten KutznerMove pull code to separate subdirectory
2014-01-13 Teemu MurtolaMove writeps.* into fileio/
2014-01-13 Teemu MurtolaMove gmxcomplex.h to gromacs/math/
2014-01-13 Mark AbrahamFix mdrun integration tests
2014-01-13 David van der SpoelCleaned up list of GROMACS authors
2014-01-11 Carsten KutznerMove essential dynamics / flooding code to separate...
2014-01-10 Carsten KutznerRead essential dynamics data from checkpoint at correct...
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