alexxy/gromacs.git
2012-07-24 Teemu MurtolaMerge remote-tracking branch 'gerrit/release-4-6'
2012-07-24 Mark AbrahamClean up of environment variables
2012-07-16 Christoph JunghansMerge "Removed commas from gmx_hbond OpenMP constructs...
2012-07-16 Christoph JunghansMerge "Enforced rotation: PBC/restart fix" into release-4-6
2012-07-15 Roland SchulzTake first description if programs.txt has more than...
2012-07-15 David van der... Merge "Autogenerate gromacs.7 from programs.txt" into...
2012-07-15 Roland SchulzAdding missing entries in programs.txt
2012-07-15 Teemu MurtolaRemoved commas from gmx_hbond OpenMP constructs.
2012-07-13 Roland SchulzMerge release-4.5-patches into HEAD
2012-07-12 Jochen HubFlat-bottomed position restraints
2012-07-10 Jochen HubExtended g_wham to allow the selection of the pull...
2012-07-10 Roland SchulzAdding missing entries in programs.txt
2012-07-10 Roland SchulzUse relative rpath to support relocatable binary packages
2012-07-10 Roland SchulzMerge remote-tracking branch 'origin/release-4-6' into...
2012-07-10 Roland SchulzAllow usage of relative install paths
2012-07-09 Christoph JunghansMerge "Fixed bug in sfactor.c that makes g_rdf -sq...
2012-07-09 Jochen HubFixed bug in sfactor.c that makes g_rdf -sq give wrong...
2012-07-09 Teemu MurtolaFix memory error with complex boolean selections.
2012-07-08 Teemu MurtolaExtension completion for FileNameOption.
2012-07-07 Roland SchulzAutogenerate gromacs.7 from programs.txt
2012-07-06 Carsten KutznerEnforced rotation: PBC/restart fix
2012-07-06 Teemu MurtolaBetter invalid option value handling.
2012-07-06 Roland SchulzMerge "Remove remaining underscore-prefixed C++ symbols."
2012-07-06 Roland SchulzMerge "Set common output directory for binaries"
2012-07-06 Teemu MurtolaRemove remaining underscore-prefixed C++ symbols.
2012-07-06 Erik MarklundBugfix for the segfault that occurs with g_hbond -hbm...
2012-07-06 Teemu MurtolaMerge "Test framework for TrajectoryAnalysisModules."
2012-07-06 Teemu MurtolaTest framework for TrajectoryAnalysisModules.
2012-07-06 Roland SchulzAdding FFT Unit Tests
2012-07-06 Roland SchulzDon't prevent GMX_PREFER_STATIC_LIBS with BUILD_SHARED_LIBS
2012-07-06 Roland SchulzSet common output directory for binaries
2012-07-05 Christoph JunghansMerge "Extract doxygen documentation for static symbols."
2012-07-05 Roland SchulzBuild man-pages instead of distributing them in the...
2012-07-05 David van der... Merge "Improve ProgramInfo and use it everywhere."
2012-07-05 Teemu MurtolaExtract doxygen documentation for static symbols.
2012-07-05 Christoph JunghansMerge "Fix most doxygen warnings."
2012-07-05 Christoph JunghansMerge "Don't rerun checks and be quiet 2nd time cmake...
2012-07-05 Christoph JunghansMerge "Allow also FindMPI for cmake<2.8.5" into release-4-6
2012-07-05 Christoph JunghansMerge "Finalized and extended Szilard's openMP cleanup...
2012-07-05 Roland SchulzDon't rerun checks and be quiet 2nd time cmake is run
2012-07-04 Erik MarklundFinalized and extended Szilard's openMP cleanup of...
2012-07-04 Roland SchulzMerge "Add FindGROMACS.cmake to template's CMakeLists...
2012-07-04 Roland SchulzMerge "Fixed bug in free energy calculation for Morse...
2012-07-04 Roland SchulzRemove unused FFT functions
2012-07-04 Teemu MurtolaFix most doxygen warnings.
2012-07-04 Roland SchulzFixes for FFT libraries
2012-07-04 Berk Hessset default for rcoulomb, rvdw and rlist to -1
2012-07-03 Teemu MurtolaImprove ProgramInfo and use it everywhere.
2012-07-03 Teemu MurtolaError/exception handling improvements.
2012-07-03 Teemu MurtolaAlways build thread_mpi threading into libgromacs.
2012-07-03 Elton CarvalhoFixed L-BFGS trajectory output.
2012-07-03 Szilárd PállMerge "Minor formatting and consistency changes to...
2012-07-02 Christoph JunghansDo not print disabled pressures and virials
2012-06-30 David van der... Fixed bug in free energy calculation for Morse potentials
2012-06-29 Christoph JunghansAdd FindGROMACS.cmake to template's CMakeLists.txt
2012-06-29 Michael ShirtsMinor formatting and consistency changes to txtdump.c
2012-06-29 Michael ShirtsCorrected checkpoint version issues with free energy...
2012-06-29 Sebastian FritschMerge "Fixed adress kernel for double precision" into...
2012-06-28 Christoph JunghansFixed adress kernel for double precision
2012-06-28 Roland SchulzAllow also FindMPI for cmake<2.8.5
2012-06-28 Christoph JunghansMerge "Fix MPI build for MPI library without mpi wrappe...
2012-06-28 Teemu MurtolaRemove more underscore-prefixed C++ symbols.
2012-06-28 Roland SchulzFix MPI build for MPI library without mpi wrapper
2012-06-27 Szilard Pallfixes typo gmx_omp introduced by 697bcdc
2012-06-27 Christoph JunghansMerge "Make C++11 test quiet after the first cmake...
2012-06-27 Christoph JunghansMerge "Use VERSION_LESS in the version detection code."
2012-06-27 Teemu MurtolaUse VERSION_LESS in the version detection code.
2012-06-27 Roland SchulzFix for boost version check added by 6b4c9bc
2012-06-26 Teemu MurtolaUpdate CPack package version.
2012-06-26 Teemu MurtolaMake C++11 test quiet after the first cmake run.
2012-06-26 Roland SchulzMerge "Make sure that found Boost version is new enough"
2012-06-26 Roland SchulzFix that rerunning cmake gives the same result as 1st run
2012-06-26 Teemu MurtolaMerge "Merge remote-tracking branch 'origin/release...
2012-06-26 Roland SchulzMake sure that found Boost version is new enough
2012-06-26 Roland SchulzMerge "Fix gmx_fatal for serial compilation" into relea...
2012-06-26 Christoph JunghansMerge "Merge remote-tracking branch 'gerrit/release...
2012-06-25 Szilard Pallintroduce gmx_omp wrapper for the OpenMP API
2012-06-25 Berk Hessfixed segv/hang with EM and foreign lambda values
2012-06-25 Berk Hessadded check for log fp!=NULL when disabling acceleration
2012-06-24 Christoph JunghansMerge "Remove MPI define for FAH" into release-4-6
2012-06-24 Roland SchulzMerge remote-tracking branch 'origin/release-4-6'
2012-06-24 Michael ShirtsMerge "Fix mdp_opt formatting of expanded ensemble...
2012-06-24 Teemu MurtolaMerge remote-tracking branch 'gerrit/release-4-6'
2012-06-24 Roland SchulzFix mdp_opt formatting of expanded ensemble
2012-06-24 Roland SchulzRemove MPI define for FAH
2012-06-23 Roland SchulzFix illegal usage of MPI_Comm_create
2012-06-22 Christoph JunghansMerge "Simple patch for openmm_wrapper.cpp" into releas...
2012-06-22 Teemu MurtolaIncrease coverate of selection unit tests.
2012-06-21 Erik LindahlFixed gcc inline assembly issue with PIC and older...
2012-06-21 David van der... Fixes #961 - Shake reports wrong error
2012-06-20 Teemu MurtolaMake the selection parser exception-proof.
2012-06-20 Teemu MurtolaUse push parser for selection parsing.
2012-06-20 Teemu MurtolaAdd string utility functions for suffix handling.
2012-06-20 Teemu MurtolaRename format.h to more generic stringutil.h.
2012-06-20 Teemu MurtolaClean up option and selection flags.
2012-06-20 Teemu MurtolaRemove (part of) underscore-prefixed C++ symbols.
2012-06-20 Roland SchulzFix gmx_fatal for serial compilation
2012-06-20 Erik MarklundCorrect normalization for HB-contact c-correlation.
2012-06-19 Mark AbrahamMerge "Fixes #882 - looping bug in trxio.c" into relea...
2012-06-19 Christoph JunghansMerge "Quiet linker on BlueGene" into release-4-5-patches
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