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Fixed g_tcaf citation in html docs
[alexxy/gromacs.git] / src /
2011-05-17 Berk Hessfixed minor memory leak with particle decomposition... tree | commitdiff
2011-05-15 Roland Schulzcorrected typo: if(errno=EINVAL) tree | commitdiff
2011-05-12 Berk Hessremoved memory allocation/free during constraining tree | commitdiff
2011-05-11 Mark AbrahamAdded reference to g_sas -h tree | commitdiff
2011-05-11 Mark AbrahamCleaned up g_sas help text tree | commitdiff
2011-05-11 Justin A. LemkulFixed typo. tree | commitdiff
2011-05-10 Justin A. LemkulFixed g_dipoles help description. Fixed spacing and... tree | commitdiff
2011-05-10 Erik MarklundMerge branch 'release-4-5-patches' of git@git.gromacs... tree | commitdiff
2011-05-10 Erik MarklundIncreased debugging output tree | commitdiff
2011-05-10 Erik MarklundFixed long standing bug where the merging resulted... tree | commitdiff
2011-05-09 Mark AbrahamAdded hint about calling trjconv more than once tree | commitdiff
2011-05-09 Mark AbrahamSpaced out paragraphs in trjconv help tree | commitdiff
2011-05-05 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2011-05-02 Mark AbrahamRemoved duplicate definition of md_print_warning() tree | commitdiff
2011-05-02 Erik MarklundCommented out re-declaration of md_print_warning() tree | commitdiff
2011-05-02 Erik MarklundMerge branch 'release-4-5-patches' of git@git.gromacs... tree | commitdiff
2011-05-02 Erik Marklundremoved parentheses that caused problem with openmp tree | commitdiff
2011-05-02 Erik MarklundChanged isfinite() to combination of isinf() and isnan() tree | commitdiff
2011-04-22 Sander PronkBetter checks for pthread_setaffinity_np(). tree | commitdiff
2011-04-22 Sander PronkHard CPU affinity is set when Nthreads == Ncores. tree | commitdiff
2011-04-21 Erik MarklundMerge branch 'release-4-5-patches' of git@git.gromacs... tree | commitdiff
2011-04-21 Erik MarklundFixed NaN/Inf in acf tree | commitdiff
2011-04-21 Sander PronkWindows build fix. tree | commitdiff
2011-04-21 Sander PronkAdded one last missing header in md_support.c tree | commitdiff
2011-04-21 Berk Hessremoved an natoms*natoms double loop in index.c tree | commitdiff
2011-04-21 Sander PronkFixed thread_mpi's Makefile.am to not include removed... tree | commitdiff
2011-04-21 Sander PronkAdded prototypes for functions in md_support.c to mdrun.h tree | commitdiff
2011-04-20 Sander PronkRevert "NUMA aware memory allocators get called (for... tree | commitdiff
2011-04-20 Sander PronkNUMA aware memory allocators get called (for Windows). tree | commitdiff
2011-04-20 Sander PronkNew thread_mpi library, with NUMA aware allocator for... tree | commitdiff
2011-04-19 Justin A. LemkulMade Gromacs compile again. tree | commitdiff
2011-04-19 Justin A. LemkulSmall improvement to g_protonate, to use gmx_strdup... tree | commitdiff
2011-04-14 Mark AbrahamRemoved unnecessary #includes tree | commitdiff
2011-04-14 Mark AbrahamDeleted duplicated code tree | commitdiff
2011-04-14 Mark AbrahamMoved various support functions for do_md into mdlib tree | commitdiff
2011-04-14 Mark AbrahamMoved iterated-constraints code into mdlib tree | commitdiff
2011-04-14 Mark AbrahamMoved heuristic neighbor-list code into mdlib tree | commitdiff
2011-04-14 Mark AbrahamFixed code duplication tree | commitdiff
2011-04-11 Justin A. LemkulRevision to previous commit: fixed typo and now bugs... tree | commitdiff
2011-04-11 Justin A. LemkulMade g_protonate (partially) work. tree | commitdiff
2011-04-10 David van der SpoelMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2011-04-08 Szilard Pallfixed g_tune_pme to pass correctly boolean arguments... tree | commitdiff
2011-04-07 Justin A. LemkulRevised wording in pdb2gmx.c, hopefully clearer now. tree | commitdiff
2011-04-06 Justin A. LemkulAdded documentation about proper use of pdb2gmx -ter. tree | commitdiff
2011-04-04 David van der SpoelMerge branch 'release-4-5-patches' of git@git.gromacs... tree | commitdiff
2011-04-04 David van der SpoelRemoved superfluous file. tree | commitdiff
2011-04-04 David van der SpoelMade new programs compile with gcc -pedantic. tree | commitdiff
2011-04-04 Justin LemkulA few more additions to wman.c to account for symbol... tree | commitdiff
2011-04-04 David van der SpoelMerge branch 'release-4-5-patches' into orderparm tree | commitdiff
2011-04-04 David van der SpoelLatest fixes from Bjorn Steen Saethre tree | commitdiff
2011-04-01 Sander PronkFixed g_pme_error to use MPI, but not threads. tree | commitdiff
2011-03-31 Berk Hessfixed genbox -ci only filling part of triclinic boxes tree | commitdiff
2011-03-30 Mark AbrahamRemoved useless const qualifier tree | commitdiff
2011-03-30 Mark AbrahamSuppressed Cygwin C-only compiler warnings tree | commitdiff
2011-03-30 Justin LemkulUpdated g_energy help information. tree | commitdiff
2011-03-30 Carsten KutznerChecks for zero-mass atoms in ED, better ordering of... tree | commitdiff
2011-03-26 Mark AbrahamFixed g_cluster logic error tree | commitdiff
2011-03-26 Mark AbrahamMade gmx_rmpbc_t object functions not segfault tree | commitdiff
2011-03-26 Mark AbrahamFixed matio.c sfree() that made DvdS cry. tree | commitdiff
2011-03-25 Sander PronkFixed deallocation bug in energy history checkpoint tree | commitdiff
2011-03-24 Justin LemkulFixed incorrect reference in g_tcaf. tree | commitdiff
2011-03-24 David van der SpoelAdded Bjorn's code, implemented running average filtering. tree | commitdiff
2011-03-23 Justin LemkulTons of small fixes to documentation. tree | commitdiff
2011-03-22 Justin LemkulLots of editorial fixes to descriptions, etc. to make... tree | commitdiff
2011-03-22 Berk Hessfixed replica exchange quantity consistency check tree | commitdiff
2011-03-21 Sander PronkThe -version flag now prints more information. tree | commitdiff
2011-03-21 Erik MarklundFixed warning arising from gmx_hbond.c tree | commitdiff
2011-03-21 Rossen ApostolovFixed more real/double issues in gmx_density tree | commitdiff
2011-03-21 Rossen ApostolovRemoved duplicated EXTRA_DIST entry in src/tools/Makefi... tree | commitdiff
2011-03-21 Sander PronkFixed real/double issue in gmx_density tree | commitdiff
2011-03-17 Sander PronkVarious fixes for Windows builds. tree | commitdiff
2011-03-16 Justin LemkulMade g_sgangle fatal error a bit more verbose. tree | commitdiff
2011-03-16 Sander Pronkmdrun -multi, multidir and replica exchange now exchang... tree | commitdiff
2011-03-15 Sander PronkMultisim simulations now all stop when the first one... tree | commitdiff
2011-03-14 Rossen Apostolovg_options source files are now properly packaged tree | commitdiff
2011-03-14 Berk Hessfixed bd with bd_fric>0 making all coordinates 0 tree | commitdiff
2011-03-14 Berk Hessfixed precision of g_traj -com for large groups tree | commitdiff
2011-03-11 Sander PronkMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2011-03-11 Berk Hessadd pdb2gmx check for multiple .ff directories tree | commitdiff
2011-03-11 Berk Hessfixed memory error in element setting in pdbio tree | commitdiff
2011-03-11 Berk Hessadded histidine names for gen_vsite, fixes 706 tree | commitdiff
2011-03-10 Sander PronkMore allocation fixes for NUMA allocator. tree | commitdiff
2011-03-10 Sander PronkAdded documentation for multidir. tree | commitdiff
2011-03-10 Sander PronkAdded more support for multidir. tree | commitdiff
2011-03-10 Maarten Wolfg_membed bug #697 fix. Remove empty molblocks due to tree | commitdiff
2011-03-08 Mark AbrahamAdded grompp note about avoiding zero-step EM tree | commitdiff
2011-03-07 Berk Hessremoved global #atoms allocation for empty DD cells tree | commitdiff
2011-03-07 Berk Hessremoved a global #atoms alloc in mdrun initialization tree | commitdiff
2011-03-05 David van der SpoelMerge branch 'release-4-5-patches' of git@git.gromacs... tree | commitdiff
2011-03-05 David van der SpoelFixed SEGV in eneconv when using the -e flag. tree | commitdiff
2011-03-03 Sander PronkReplaced strdups with gmx_strdups so that they can... tree | commitdiff
2011-03-03 Berk Hessmade the g_density accumulation double precision tree | commitdiff
2011-03-03 Christoph Junghansfixed a typo in cmake pkg-config files tree | commitdiff
2011-03-03 Carsten KutznerFixed wrong error message when using flooding code... tree | commitdiff
2011-03-01 Justin LemkulSmall fixes to g_dielectric description to improve... tree | commitdiff
2011-03-01 Carsten KutznerFixed bug #714: deprecated structure in gettimeofday tree | commitdiff
2011-02-25 Justin LemkulFixed typo in citation. tree | commitdiff
2011-02-25 Carsten KutznerCorrected output of a warning message. tree | commitdiff
2011-02-25 Carsten KutznerAdded the -fix option to g_tune_pme for tuning of rcoul... tree | commitdiff
2011-02-24 Berk Hessalso renamed options to g_options in Makefile.am tree | commitdiff
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