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alexxy/gromacs.git
2004-04-28 lindahlTest change to check new repository commit | commitdiff | tree | snapshot
2004-04-23 lindahlBumbed beta version commit | commitdiff | tree | snapshot
2004-04-22 hessadded centering in orient_princ which was removed in... commit | commitdiff | tree | snapshot
2004-04-22 hessadded fcstep and updated shell stuff commit | commitdiff | tree | snapshot
2004-04-22 hessflexible constraints now also work when no shells are... commit | commitdiff | tree | snapshot
2004-04-22 hessadded info about -multi and NMR refinement to the descr... commit | commitdiff | tree | snapshot
2004-04-21 hesschanged ITYPE to RTYPE for fcstep, this caused grompp... commit | commitdiff | tree | snapshot
2004-04-21 hessadded patching of the tpx file with -multi which was... commit | commitdiff | tree | snapshot
2004-04-06 spoelUpdate commit | commitdiff | tree | snapshot
2004-04-06 spoelUpdated error message commit | commitdiff | tree | snapshot
2004-04-05 hessfixed incorrect (nan) nrdf count for tcoupl group for... commit | commitdiff | tree | snapshot
2004-04-02 spoelfixed possible SEGV due to numerical roundoff. commit | commitdiff | tree | snapshot
2004-04-01 hessfixed a typo commit | commitdiff | tree | snapshot
2004-03-21 maarenFixed atomtypes for sttle case commit | commitdiff | tree | snapshot
2004-03-01 lindahlFixed opls define commit | commitdiff | tree | snapshot
2004-03-01 lindahlFixed all-static configure option - it was always turne... commit | commitdiff | tree | snapshot
2004-02-29 lindahlRemoved old annealing illustration, it is no longer... commit | commitdiff | tree | snapshot
2004-02-29 lindahlChanged function call to ed sampling due to make_edi... commit | commitdiff | tree | snapshot
2004-02-29 lindahladded make_edi to list of programs commit | commitdiff | tree | snapshot
2004-02-29 lindahlAdded parallel stuff to ed sampling, contributed by... commit | commitdiff | tree | snapshot
2004-02-29 lindahlAdded changes from the make_edi program contributed... commit | commitdiff | tree | snapshot
2004-02-29 lindahlAdded make_edi program contributed by Oliver Lange... commit | commitdiff | tree | snapshot
2004-02-29 lindahlFixed compiler warnings in index.c, and documented... commit | commitdiff | tree | snapshot
2004-02-29 lindahlFixed parsing of multiple annealing groups commit | commitdiff | tree | snapshot
2004-02-29 lindahlUpdated mdp doc, added new annealing selection and... commit | commitdiff | tree | snapshot
2004-02-25 spoelFixed shift commit | commitdiff | tree | snapshot
2004-02-25 hessfixed a pbc bug which made it impossible to do umbrella... commit | commitdiff | tree | snapshot
2004-02-15 spoelFixed typo commit | commitdiff | tree | snapshot
2004-02-03 lindahlRemoved CFLAGS when making mkinl, in case CC is not... commit | commitdiff | tree | snapshot
2004-02-02 hessfixed bugs in the error estimate fitting, broke since... commit | commitdiff | tree | snapshot
2004-02-01 lindahlRearranged code order to avoid an unnecessary copiler... commit | commitdiff | tree | snapshot
2004-02-01 lindahlAdded FF.dat back to the distribution, since we still... commit | commitdiff | tree | snapshot
2004-02-01 lindahlAdded return 0; statement to all wrapper binaries to... commit | commitdiff | tree | snapshot
2004-02-01 lindahlModified SSE code to work around AMD hardware problems... commit | commitdiff | tree | snapshot
2004-02-01 lindahlBumped version because of SSE fixes for AMD commit | commitdiff | tree | snapshot
2004-01-30 spoelUpdated commit | commitdiff | tree | snapshot
2004-01-27 lindahlChanged head branch of CVS back to 'beta' designation commit | commitdiff | tree | snapshot
2004-01-27 hessmade the constraint output consistent and fixed a bug... commit | commitdiff | tree | snapshot
2004-01-26 lindahl*** empty log message *** commit | commitdiff | tree | snapshot
2004-01-26 lindahlImplemented optional manual ff selection commit | commitdiff | tree | snapshot
2004-01-26 lindahlAdded back choose_ff commit | commitdiff | tree | snapshot
2004-01-26 lindahlChanged comment for ffgmx2 commit | commitdiff | tree | snapshot
2004-01-26 lindahlAdded back FF.dat to enable optional interactive selections commit | commitdiff | tree | snapshot
2004-01-26 lindahlMade grid error message more verbose, and added a separ... commit | commitdiff | tree | snapshot
2004-01-26 hessadded mass weighting and fixed pbc bug commit | commitdiff | tree | snapshot
2004-01-26 lindahlAdded manuals for new programs commit | commitdiff | tree | snapshot
2004-01-26 lindahlAdded analysis header that used to be generated in... commit | commitdiff | tree | snapshot
2004-01-26 hesschanged the (incorrect) SD Ekin correction by velocity... commit | commitdiff | tree | snapshot
2004-01-26 lindahlAdded a new analysis program header instead of the... commit | commitdiff | tree | snapshot
2004-01-26 lindahlRedhat now uses rpmbuild instead of rpm to build packages. commit | commitdiff | tree | snapshot
2004-01-26 lindahlTypo in version number; should be 3.2 instead of 3... commit | commitdiff | tree | snapshot
2004-01-26 lindahlRemoved the header created by the script. There is... commit | commitdiff | tree | snapshot
2004-01-26 lindahlRemoved manpage for obsolete program (part of mdrun... commit | commitdiff | tree | snapshot
2004-01-26 lindahlAdded the analysis library to the rpm package descriptions commit | commitdiff | tree | snapshot
2004-01-25 lindahlChanged index.html to online.html to avoid updating... commit | commitdiff | tree | snapshot
2004-01-25 lindahlAdded switch description, and l-bfgs commit | commitdiff | tree | snapshot
2004-01-25 lindahlUpdated documentation stuff for release 3.2 commit | commitdiff | tree | snapshot
2004-01-25 lindahlUpdated html manual pages for 3.2 commit | commitdiff | tree | snapshot
2004-01-25 lindahlUpdated program list commit | commitdiff | tree | snapshot
2004-01-25 lindahlMoved the real code of analysis programs to gmx_* and... commit | commitdiff | tree | snapshot
2004-01-25 lindahlRemoving scripts, introducing wrapper binaries instead. commit | commitdiff | tree | snapshot
2004-01-25 lindahlRemoved scripts to introduce wrapper binaries commit | commitdiff | tree | snapshot
2004-01-25 lindahlRemoving scripts to introduce wrapper binaries instead. commit | commitdiff | tree | snapshot
2004-01-25 lindahlRemoving scripts and introducing wrapper binaries instead. commit | commitdiff | tree | snapshot
2004-01-25 lindahlWorked around the Intel compiler being identified as... commit | commitdiff | tree | snapshot
2004-01-25 lindahlRemoved inlining of functions that refer other function... commit | commitdiff | tree | snapshot
2004-01-25 lindahlRemoved inlining of random functions. The Intel compile... commit | commitdiff | tree | snapshot
2004-01-25 lindahlAdded conditional inclusion of config.h commit | commitdiff | tree | snapshot
2004-01-25 lindahlChanged C++ comments to C-style commit | commitdiff | tree | snapshot
2004-01-25 lindahlFixed problem on AIX - even the innerloop building... commit | commitdiff | tree | snapshot
2004-01-25 lindahlFixed compiler warning due to const char argument pointer commit | commitdiff | tree | snapshot
2004-01-25 lindahlAdded check to make sure shift/switch is not used with... commit | commitdiff | tree | snapshot
2004-01-25 lindahlFixed possible division by zero when debugging Buckingh... commit | commitdiff | tree | snapshot
2004-01-25 lindahlRemoved David's extra inclusion of config.h commit | commitdiff | tree | snapshot
2004-01-25 lindahlFixed the problem with Buckingham tables. For some... commit | commitdiff | tree | snapshot
2004-01-23 spoelFixed some typos, and checked that the sutff compiles. commit | commitdiff | tree | snapshot
2004-01-23 lindahlFixed inclusion of config.h commit | commitdiff | tree | snapshot
2004-01-23 lindahlFixed the config.h inclusion commit | commitdiff | tree | snapshot
2004-01-23 lindahlAdded conditional inclusion of config.h to source files commit | commitdiff | tree | snapshot
2004-01-23 lindahlFixed conditional inclusion of config.h in source files commit | commitdiff | tree | snapshot
2004-01-23 spoelIncluded config.h commit | commitdiff | tree | snapshot
2004-01-23 lindahlAdded conditional inclusion of config.h to source files. commit | commitdiff | tree | snapshot
2004-01-23 spoelIncluded config.h commit | commitdiff | tree | snapshot
2004-01-23 spoelChanged ff to string commit | commitdiff | tree | snapshot
2004-01-22 spoelMade xmgrace the default commit | commitdiff | tree | snapshot
2004-01-22 spoelAdded -nxy flags in do_view arguments to xmgrace commit | commitdiff | tree | snapshot
2004-01-22 lindahlUpdated a comment, and changed the random number genera... commit | commitdiff | tree | snapshot
2004-01-22 lindahlModified the gaussian table random numbers to make... commit | commitdiff | tree | snapshot
2004-01-22 hesscommitted gmx_random.c and .h written by Erik Lindahl... commit | commitdiff | tree | snapshot
2004-01-22 lindahlAdded Michael Shirts long-range dispersion and repulsio... commit | commitdiff | tree | snapshot
2004-01-22 hessfixed filling of buckingham tables, broke since at... commit | commitdiff | tree | snapshot
2004-01-22 spoelFixed files so that they work with TIP4P commit | commitdiff | tree | snapshot
2004-01-22 spoelFixed ugly pointer bug in gen_dum.c commit | commitdiff | tree | snapshot
2004-01-21 spoelUpdated commit | commitdiff | tree | snapshot
2004-01-21 spoelUpdated commit | commitdiff | tree | snapshot
2004-01-21 spoelUpdated force field files and pdb2gmx code to make... commit | commitdiff | tree | snapshot
2004-01-21 hessadded check for the first user table element being... commit | commitdiff | tree | snapshot
2004-01-20 lindahlUpdated version to 3.2.0. commit | commitdiff | tree | snapshot
2004-01-20 spoelAdded sw.itp commit | commitdiff | tree | snapshot
2004-01-20 spoelNew definition of the SW water model commit | commitdiff | tree | snapshot
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