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alexxy/gromacs.git
2012-07-28 Roland SchulzMerge "Fix clang 3.2 warnings." commit | commitdiff | tree | snapshot
2012-07-27 Teemu MurtolaFix clang 3.2 warnings. commit | commitdiff | tree | snapshot
2012-07-26 Roland SchulzMerge remote-tracking branch 'origin/release-4-6' into... commit | commitdiff | tree | snapshot
2012-07-26 Christoph JunghansMerge changes I33cd59e6,I8a2e539f commit | commitdiff | tree | snapshot
2012-07-26 Roland SchulzFix that VMD version check was performed for binary... commit | commitdiff | tree | snapshot
2012-07-25 Roland SchulzMerge "cmake: allow switch between single and double... commit | commitdiff | tree | snapshot
2012-07-25 Roland SchulzMerge "fix a segfault in sse_mask_init" into release-4-6 commit | commitdiff | tree | snapshot
2012-07-24 Roland SchulzFix installation rules for man pages: don't install... commit | commitdiff | tree | snapshot
2012-07-24 Roland SchulzAdd default root folder to cpack archives commit | commitdiff | tree | snapshot
2012-07-24 Teemu MurtolaMerge remote-tracking branch 'gerrit/release-4-6' commit | commitdiff | tree | snapshot
2012-07-24 Mark AbrahamClean up of environment variables commit | commitdiff | tree | snapshot
2012-07-19 Christoph Junghanscmake: allow switch between single and double commit | commitdiff | tree | snapshot
2012-07-17 Berk Hessfix a segfault in sse_mask_init commit | commitdiff | tree | snapshot
2012-07-16 Christoph JunghansMerge "Removed commas from gmx_hbond OpenMP constructs... commit | commitdiff | tree | snapshot
2012-07-16 Christoph JunghansMerge "Enforced rotation: PBC/restart fix" into release-4-6 commit | commitdiff | tree | snapshot
2012-07-15 Teemu MurtolaDraft support for multiple help output formats. commit | commitdiff | tree | snapshot
2012-07-15 Roland SchulzTake first description if programs.txt has more than... commit | commitdiff | tree | snapshot
2012-07-15 David van der... Merge "Autogenerate gromacs.7 from programs.txt" into... commit | commitdiff | tree | snapshot
2012-07-15 Roland SchulzAdding missing entries in programs.txt commit | commitdiff | tree | snapshot
2012-07-15 Teemu MurtolaRemoved commas from gmx_hbond OpenMP constructs. commit | commitdiff | tree | snapshot
2012-07-13 Roland SchulzMerge release-4.5-patches into HEAD commit | commitdiff | tree | snapshot
2012-07-12 Jochen HubFlat-bottomed position restraints commit | commitdiff | tree | snapshot
2012-07-11 Teemu MurtolaImprove option initialization in traj. analysis. commit | commitdiff | tree | snapshot
2012-07-10 Jochen HubExtended g_wham to allow the selection of the pull... commit | commitdiff | tree | snapshot
2012-07-10 Roland SchulzAdding missing entries in programs.txt commit | commitdiff | tree | snapshot
2012-07-10 Roland SchulzUse relative rpath to support relocatable binary packages commit | commitdiff | tree | snapshot
2012-07-10 Roland SchulzMerge remote-tracking branch 'origin/release-4-6' into... commit | commitdiff | tree | snapshot
2012-07-10 Roland SchulzAllow usage of relative install paths commit | commitdiff | tree | snapshot
2012-07-09 Christoph JunghansMerge "Fixed bug in sfactor.c that makes g_rdf -sq... commit | commitdiff | tree | snapshot
2012-07-09 Jochen HubFixed bug in sfactor.c that makes g_rdf -sq give wrong... commit | commitdiff | tree | snapshot
2012-07-09 Teemu MurtolaFix memory error with complex boolean selections. commit | commitdiff | tree | snapshot
2012-07-08 Teemu MurtolaExtension completion for FileNameOption. commit | commitdiff | tree | snapshot
2012-07-07 Roland SchulzAutogenerate gromacs.7 from programs.txt commit | commitdiff | tree | snapshot
2012-07-06 Carsten KutznerEnforced rotation: PBC/restart fix commit | commitdiff | tree | snapshot
2012-07-06 Teemu MurtolaBetter invalid option value handling. commit | commitdiff | tree | snapshot
2012-07-06 Roland SchulzMerge "Remove remaining underscore-prefixed C++ symbols." commit | commitdiff | tree | snapshot
2012-07-06 Roland SchulzMerge "Set common output directory for binaries" commit | commitdiff | tree | snapshot
2012-07-06 Teemu MurtolaRemove remaining underscore-prefixed C++ symbols. commit | commitdiff | tree | snapshot
2012-07-06 Erik MarklundBugfix for the segfault that occurs with g_hbond -hbm... commit | commitdiff | tree | snapshot
2012-07-06 Teemu MurtolaMerge "Test framework for TrajectoryAnalysisModules." commit | commitdiff | tree | snapshot
2012-07-06 Teemu MurtolaTest framework for TrajectoryAnalysisModules. commit | commitdiff | tree | snapshot
2012-07-06 Roland SchulzAdding FFT Unit Tests commit | commitdiff | tree | snapshot
2012-07-06 Roland SchulzDon't prevent GMX_PREFER_STATIC_LIBS with BUILD_SHARED_LIBS commit | commitdiff | tree | snapshot
2012-07-06 Roland SchulzSet common output directory for binaries commit | commitdiff | tree | snapshot
2012-07-05 Christoph JunghansMerge "Extract doxygen documentation for static symbols." commit | commitdiff | tree | snapshot
2012-07-05 Roland SchulzBuild man-pages instead of distributing them in the... commit | commitdiff | tree | snapshot
2012-07-05 David van der... Merge "Improve ProgramInfo and use it everywhere." commit | commitdiff | tree | snapshot
2012-07-05 Teemu MurtolaExtract doxygen documentation for static symbols. commit | commitdiff | tree | snapshot
2012-07-05 Christoph JunghansMerge "Fix most doxygen warnings." commit | commitdiff | tree | snapshot
2012-07-05 Christoph JunghansMerge "Don't rerun checks and be quiet 2nd time cmake... commit | commitdiff | tree | snapshot
2012-07-05 Christoph JunghansMerge "Allow also FindMPI for cmake<2.8.5" into release-4-6 commit | commitdiff | tree | snapshot
2012-07-05 Christoph JunghansMerge "Finalized and extended Szilard's openMP cleanup... commit | commitdiff | tree | snapshot
2012-07-05 Roland SchulzDon't rerun checks and be quiet 2nd time cmake is run commit | commitdiff | tree | snapshot
2012-07-04 Erik MarklundFinalized and extended Szilard's openMP cleanup of... commit | commitdiff | tree | snapshot
2012-07-04 Roland SchulzMerge "Add FindGROMACS.cmake to template's CMakeLists... commit | commitdiff | tree | snapshot
2012-07-04 Roland SchulzMerge "Fixed bug in free energy calculation for Morse... commit | commitdiff | tree | snapshot
2012-07-04 Roland SchulzRemove unused FFT functions commit | commitdiff | tree | snapshot
2012-07-04 Teemu MurtolaFix most doxygen warnings. commit | commitdiff | tree | snapshot
2012-07-04 Roland SchulzFixes for FFT libraries commit | commitdiff | tree | snapshot
2012-07-04 Berk Hessset default for rcoulomb, rvdw and rlist to -1 commit | commitdiff | tree | snapshot
2012-07-03 Teemu MurtolaImprove ProgramInfo and use it everywhere. commit | commitdiff | tree | snapshot
2012-07-03 Teemu MurtolaError/exception handling improvements. commit | commitdiff | tree | snapshot
2012-07-03 Teemu MurtolaAlways build thread_mpi threading into libgromacs. commit | commitdiff | tree | snapshot
2012-07-03 Elton CarvalhoFixed L-BFGS trajectory output. commit | commitdiff | tree | snapshot
2012-07-03 Szilárd PállMerge "Minor formatting and consistency changes to... commit | commitdiff | tree | snapshot
2012-07-02 Christoph JunghansDo not print disabled pressures and virials commit | commitdiff | tree | snapshot
2012-06-30 David van der... Fixed bug in free energy calculation for Morse potentials commit | commitdiff | tree | snapshot
2012-06-29 Christoph JunghansAdd FindGROMACS.cmake to template's CMakeLists.txt commit | commitdiff | tree | snapshot
2012-06-29 Michael ShirtsMinor formatting and consistency changes to txtdump.c commit | commitdiff | tree | snapshot
2012-06-29 Michael ShirtsCorrected checkpoint version issues with free energy... commit | commitdiff | tree | snapshot
2012-06-29 Sebastian FritschMerge "Fixed adress kernel for double precision" into... commit | commitdiff | tree | snapshot
2012-06-28 Christoph JunghansFixed adress kernel for double precision commit | commitdiff | tree | snapshot
2012-06-28 Roland SchulzAllow also FindMPI for cmake<2.8.5 commit | commitdiff | tree | snapshot
2012-06-28 Christoph JunghansMerge "Fix MPI build for MPI library without mpi wrappe... commit | commitdiff | tree | snapshot
2012-06-28 Teemu MurtolaRemove more underscore-prefixed C++ symbols. commit | commitdiff | tree | snapshot
2012-06-28 Roland SchulzFix MPI build for MPI library without mpi wrapper commit | commitdiff | tree | snapshot
2012-06-27 Szilard Pallfixes typo gmx_omp introduced by 697bcdc commit | commitdiff | tree | snapshot
2012-06-27 Christoph JunghansMerge "Make C++11 test quiet after the first cmake... commit | commitdiff | tree | snapshot
2012-06-27 Christoph JunghansMerge "Use VERSION_LESS in the version detection code." commit | commitdiff | tree | snapshot
2012-06-27 Teemu MurtolaUse VERSION_LESS in the version detection code. commit | commitdiff | tree | snapshot
2012-06-27 Roland SchulzFix for boost version check added by 6b4c9bc commit | commitdiff | tree | snapshot
2012-06-26 Teemu MurtolaUpdate CPack package version. commit | commitdiff | tree | snapshot
2012-06-26 Teemu MurtolaMake C++11 test quiet after the first cmake run. commit | commitdiff | tree | snapshot
2012-06-26 Roland SchulzMerge "Make sure that found Boost version is new enough" commit | commitdiff | tree | snapshot
2012-06-26 Roland SchulzFix that rerunning cmake gives the same result as 1st run commit | commitdiff | tree | snapshot
2012-06-26 Teemu MurtolaMerge "Merge remote-tracking branch 'origin/release... commit | commitdiff | tree | snapshot
2012-06-26 Roland SchulzMake sure that found Boost version is new enough commit | commitdiff | tree | snapshot
2012-06-26 Roland SchulzMerge "Fix gmx_fatal for serial compilation" into relea... commit | commitdiff | tree | snapshot
2012-06-26 Christoph JunghansMerge "Merge remote-tracking branch 'gerrit/release... commit | commitdiff | tree | snapshot
2012-06-25 Szilard Pallintroduce gmx_omp wrapper for the OpenMP API commit | commitdiff | tree | snapshot
2012-06-25 Berk Hessfixed segv/hang with EM and foreign lambda values commit | commitdiff | tree | snapshot
2012-06-25 Berk Hessadded check for log fp!=NULL when disabling acceleration commit | commitdiff | tree | snapshot
2012-06-24 Christoph JunghansMerge "Remove MPI define for FAH" into release-4-6 commit | commitdiff | tree | snapshot
2012-06-24 Roland SchulzMerge remote-tracking branch 'origin/release-4-6' commit | commitdiff | tree | snapshot
2012-06-24 Michael ShirtsMerge "Fix mdp_opt formatting of expanded ensemble... commit | commitdiff | tree | snapshot
2012-06-24 Teemu MurtolaMerge remote-tracking branch 'gerrit/release-4-6' commit | commitdiff | tree | snapshot
2012-06-24 Roland SchulzFix mdp_opt formatting of expanded ensemble commit | commitdiff | tree | snapshot
2012-06-24 Roland SchulzRemove MPI define for FAH commit | commitdiff | tree | snapshot
2012-06-23 Roland SchulzFix illegal usage of MPI_Comm_create commit | commitdiff | tree | snapshot
2012-06-22 Christoph JunghansMerge "Simple patch for openmm_wrapper.cpp" into releas... commit | commitdiff | tree | snapshot
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