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alexxy/gromacs.git
2010-09-06 Szilard PallMark advanced GMX_BINARY_SUFFIX and GMX_LIBS_SUFFIX... commit | commitdiff | tree | snapshot
2010-09-06 Rossen ApostolovAdded a note that running in double precision is slower. commit | commitdiff | tree | snapshot
2010-09-06 Rossen ApostolovA lot of CMake options are now marked as advanced since... commit | commitdiff | tree | snapshot
2010-09-06 Sander PronkMerge branch 'release-4-5-patches' of git.gromacs.org... commit | commitdiff | tree | snapshot
2010-09-06 Sander PronkFixed reading of older .xvg file formats in g_bar commit | commitdiff | tree | snapshot
2010-09-06 Teemu MurtolaImproved package version handling in CMake. commit | commitdiff | tree | snapshot
2010-09-06 Sander PronkFixed misinterpretation of -b and -e in g_bar. commit | commitdiff | tree | snapshot
2010-09-03 Sander PronkAdded missing windows thread files to distribution... commit | commitdiff | tree | snapshot
2010-09-02 Rossen ApostolovAnother missing CMake file. commit | commitdiff | tree | snapshot
2010-09-02 Rossen ApostolovUpdated the version numbers to 4.5.1. commit | commitdiff | tree | snapshot
2010-09-02 Rossen ApostolovAdded for distribution missing CMake specific files. commit | commitdiff | tree | snapshot
2010-09-02 Mark AbrahamFix spelling error commit | commitdiff | tree | snapshot
2010-09-01 Rossen ApostolovNew release: 4.5 (final). Yay!!! commit | commitdiff | tree | snapshot
2010-09-01 Erik LindahlRemoved lots of unnecessary messages to stdout from... commit | commitdiff | tree | snapshot
2010-09-01 Erik LindahlAdded Gerrit to the list of authors. Sorry for forgetti... commit | commitdiff | tree | snapshot
2010-09-01 Rossen ApostolovAdded g_rmsdist and g_rotmat to the CMake build system commit | commitdiff | tree | snapshot
2010-09-01 Sander PronkShared libraries off by default on Windows. commit | commitdiff | tree | snapshot
2010-09-01 Carsten KutznerFixed make_edi when no fitting was done in g_covar commit | commitdiff | tree | snapshot
2010-09-01 Sander PronkAdded support for PGI atomics in thread_mpi. commit | commitdiff | tree | snapshot
2010-09-01 Szilard PallUpdated list of supported GPUs commit | commitdiff | tree | snapshot
2010-09-01 Mark AbrahamFormatting fixes to documentation commit | commitdiff | tree | snapshot
2010-09-01 Sander PronkFinal thread_mpi fixes (ppc works, no deadlocks on... commit | commitdiff | tree | snapshot
2010-09-01 Mark AbrahamMerge branch 'release-4-5-patches' of git.gromacs.org... commit | commitdiff | tree | snapshot
2010-09-01 Mark Abrahammake_opt.html now doesn't use <h4>, rather it uses... commit | commitdiff | tree | snapshot
2010-09-01 Mark AbrahamGeneral fixes commit | commitdiff | tree | snapshot
2010-09-01 Rossen ApostolovSmall update of the GPU related documentation. commit | commitdiff | tree | snapshot
2010-09-01 Sander PronkCode reorg in thread_mpi commit | commitdiff | tree | snapshot
2010-09-01 hesscleaner implementation of close_nblist with comments... commit | commitdiff | tree | snapshot
2010-09-01 Rossen ApostolovSmall update of the GPU related documentation. commit | commitdiff | tree | snapshot
2010-09-01 Rossen ApostolovMerge branch 'release-4-5-patches' of git.gromacs.org... commit | commitdiff | tree | snapshot
2010-09-01 Sander PronkCode reorg in thread_mpi commit | commitdiff | tree | snapshot
2010-09-01 Rossen ApostolovMerge branch 'release-4-5-patches' of git.gromacs.org... commit | commitdiff | tree | snapshot
2010-08-31 Erik LindahlMade the options program for the latex manual compile... commit | commitdiff | tree | snapshot
2010-08-31 Erik LindahlFixed typo in src/contrib/Makefile.am commit | commitdiff | tree | snapshot
2010-08-31 Rossen ApostolovMerge branch 'release-4-5-patches' of git.gromacs.org... commit | commitdiff | tree | snapshot
2010-08-31 Erik LindahlFixed incorrect call to gmx_finalize() in gmx_pme_error() commit | commitdiff | tree | snapshot
2010-08-31 Erik LindahlAdded final newline to avoid compiler warning in sfactor.h commit | commitdiff | tree | snapshot
2010-08-31 Rossen ApostolovOpenMM now accepts cut-off method, since it's needed... commit | commitdiff | tree | snapshot
2010-08-31 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... commit | commitdiff | tree | snapshot
2010-08-31 Erik LindahlAdded Cpack support commit | commitdiff | tree | snapshot
2010-08-31 Sander PronkMerge branch 'release-4-5-patches' of git.gromacs.org... commit | commitdiff | tree | snapshot
2010-08-31 Sander PronkFixed memory ordering issue on ppc with gcc&xlc. commit | commitdiff | tree | snapshot
2010-08-31 Szilard PallMerge branch 'release-4-5-patches' of git://git.gromacs... commit | commitdiff | tree | snapshot
2010-08-31 Szilard PallImproved option disabling on switching to OpenMM build... commit | commitdiff | tree | snapshot
2010-08-31 Szilard Pallfixed/improved cmake FFTW3 detection commit | commitdiff | tree | snapshot
2010-08-31 Sander Pronkthread_mpi fixes: gcc works on power7, xlc still does... commit | commitdiff | tree | snapshot
2010-08-31 SzilardRemoved leftover debug message from openmm_wrapper commit | commitdiff | tree | snapshot
2010-08-31 Teemu MurtolaFixed CMake libxml2 detection. commit | commitdiff | tree | snapshot
2010-08-31 Berk Hessavoided creation of neighborlists without j-particles commit | commitdiff | tree | snapshot
2010-08-31 Erik LindahlAdded label writing capability to editconf when used... commit | commitdiff | tree | snapshot
2010-08-31 Erik LindahlAdded check for <2 frames when autocorrelation is reque... commit | commitdiff | tree | snapshot
2010-08-31 Erik LindahlMoved buggy and unsupported g_sdf to contrib directory... commit | commitdiff | tree | snapshot
2010-08-31 Sander PronkFixed warning in gmx_energy commit | commitdiff | tree | snapshot
2010-08-30 hessg_rms now allows for more atoms in trx than tpr commit | commitdiff | tree | snapshot
2010-08-30 hesssmall changes to grompp documentation commit | commitdiff | tree | snapshot
2010-08-30 Christoph Junghansfixed Template.mak commit | commitdiff | tree | snapshot
2010-08-30 Christoph Junghansfixed a typo in old libxdrf fortran wrapper commit | commitdiff | tree | snapshot
2010-08-30 Erik LindahlImproved handling of include paths in gmxcpp from Teemu commit | commitdiff | tree | snapshot
2010-08-30 Christoph Junghansforcerec.c: added missing int commit | commitdiff | tree | snapshot
2010-08-30 Teemu MurtolaCosmetic fix to include/CMakeLists.txt. commit | commitdiff | tree | snapshot
2010-08-30 Sander Pronkgrompp calculates output size with dh data estimate. commit | commitdiff | tree | snapshot
2010-08-30 Sander PronkClearer error messages in g_energy. commit | commitdiff | tree | snapshot
2010-08-30 Sander PronkFixed the g_energy -odh option to be less confusing. commit | commitdiff | tree | snapshot
2010-08-30 hessCorrected trjconv check for topology presence, see... commit | commitdiff | tree | snapshot
2010-08-30 Mark AbrahamMade a pdb2gmx message less cryptic when it finds multi... commit | commitdiff | tree | snapshot
2010-08-29 Sander PronkMade the dhdl_derivatives option do something when... commit | commitdiff | tree | snapshot
2010-08-27 Erik LindahlAdded longer list of authors... commit | commitdiff | tree | snapshot
2010-08-27 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... commit | commitdiff | tree | snapshot
2010-08-27 Erik LindahlAdded check for SSE2 support to use generalized born... commit | commitdiff | tree | snapshot
2010-08-27 Christoph Junghansadded a missing include to sighandler.h commit | commitdiff | tree | snapshot
2010-08-26 Roland SchulzRevert "Parenthesis around comparisons and no <= or... commit | commitdiff | tree | snapshot
2010-08-27 Roland Schulzfix logic to convert GMX_INTEGER_BIG_ENDIAN to ARCH_IS_... commit | commitdiff | tree | snapshot
2010-08-27 Erik LindahlAdded trjconv check for topology prescence, see bugzill... commit | commitdiff | tree | snapshot
2010-08-27 Rossen ApostolovNew release 4.5-beta4 commit | commitdiff | tree | snapshot
2010-08-27 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... commit | commitdiff | tree | snapshot
2010-08-27 Erik LindahlFixed gmxcpp to always use unix path separators in... commit | commitdiff | tree | snapshot
2010-08-27 Roland SchulzParenthesis around comparisons and no <= or >= for xlc commit | commitdiff | tree | snapshot
2010-08-27 Sander PronkFixed begin and end times in g_bar. commit | commitdiff | tree | snapshot
2010-08-27 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... commit | commitdiff | tree | snapshot
2010-08-27 Erik LindahlFixed another uninitialized variable warning in gmx_ene... commit | commitdiff | tree | snapshot
2010-08-27 Erik LindahlAdd current path (./) to topol.top include when force... commit | commitdiff | tree | snapshot
2010-08-27 Sander PronkMore documentation for g_bar. commit | commitdiff | tree | snapshot
2010-08-27 Erik LindahlDont write EOF warnings to stdout every time we checkpo... commit | commitdiff | tree | snapshot
2010-08-27 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... commit | commitdiff | tree | snapshot
2010-08-27 Erik LindahlFixed first statemement occuring before variable declar... commit | commitdiff | tree | snapshot
2010-08-27 Sander PronkSome documentation changes. commit | commitdiff | tree | snapshot
2010-08-27 Sander PronkSome documentation changes. commit | commitdiff | tree | snapshot
2010-08-26 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... commit | commitdiff | tree | snapshot
2010-08-26 Erik LindahlModified pdb2gmx to automatically pick the force field... commit | commitdiff | tree | snapshot
2010-08-26 Rossen ApostolovModified the OpenMM wrapper interface to support the... commit | commitdiff | tree | snapshot
2010-08-26 Rossen ApostolovAdded the g_pme_error tool from Florian Dommert. Thanks! commit | commitdiff | tree | snapshot
2010-08-26 Rossen ApostolovFixed hardcoded OpenMM library name. commit | commitdiff | tree | snapshot
2010-08-26 Sander Pronkgmx_bar now works with derivative histogram sets. commit | commitdiff | tree | snapshot
2010-08-26 Erik LindahlFixed pointer typo in patch from Alexey Shvetsov commit | commitdiff | tree | snapshot
2010-08-26 Erik LindahlAdded PBC checking patch to g_cluster from Alexey Shvet... commit | commitdiff | tree | snapshot
2010-08-26 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... commit | commitdiff | tree | snapshot
2010-08-26 Erik LindahlModified pdb2gmx to not accept extra hydrogen atoms... commit | commitdiff | tree | snapshot
2010-08-26 Sander PronkFree energy histogram bug fixes. commit | commitdiff | tree | snapshot
2010-08-26 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... commit | commitdiff | tree | snapshot
2010-08-26 Erik Lindahltrue/false input settings should be called bool instead... commit | commitdiff | tree | snapshot
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