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alexxy/gromacs.git
2012-10-01 Roland SchulzMerge release-4-6 into master commit | commitdiff | tree | snapshot
2012-09-25 Teemu MurtolaFix a few memory leaks in C++ code. commit | commitdiff | tree | snapshot
2012-09-25 Teemu MurtolaFine-tuning for FileNameOption. commit | commitdiff | tree | snapshot
2012-09-24 Teemu MurtolaAdd pdbname selection keyword. commit | commitdiff | tree | snapshot
2012-09-18 Teemu MurtolaAdd some valgrind suppressions for Mac. commit | commitdiff | tree | snapshot
2012-09-10 Teemu MurtolaMerge *optioninfo.h to *option.h. commit | commitdiff | tree | snapshot
2012-09-10 Christoph JunghansMerge "Allow 'atomname' and 'atomtype' in selections." commit | commitdiff | tree | snapshot
2012-09-07 Christoph JunghansMerge "Fix VMD plugins on Windows" into release-4-6 commit | commitdiff | tree | snapshot
2012-09-07 Christoph JunghansMerge "Check that gmx_detectcpu runs correctly" into... commit | commitdiff | tree | snapshot
2012-09-07 Teemu MurtolaPrint more information on exceptions. commit | commitdiff | tree | snapshot
2012-09-07 Teemu MurtolaBetter error messages for SelectionFileOption. commit | commitdiff | tree | snapshot
2012-09-07 Teemu MurtolaBetter context information handling for exceptions. commit | commitdiff | tree | snapshot
2012-09-07 Teemu MurtolaRestructure fatal error formatting. commit | commitdiff | tree | snapshot
2012-09-07 Teemu MurtolaMore features for TextLineWrapper. commit | commitdiff | tree | snapshot
2012-09-06 Roland SchulzFix illegal call to MPI without being initialized commit | commitdiff | tree | snapshot
2012-09-05 Roland SchulzCheck that gmx_detectcpu runs correctly commit | commitdiff | tree | snapshot
2012-09-05 Sander PronkFixed an undefined return value in tMPI_Scan() commit | commitdiff | tree | snapshot
2012-09-04 Christoph JunghansMerge "Fixes too many backup files for *.nroff files... commit | commitdiff | tree | snapshot
2012-09-04 Christoph JunghansMerge "Reorganize CommandLineHelpWriter implementation." commit | commitdiff | tree | snapshot
2012-09-04 Christoph JunghansMerge "Fix SelectionParserParameter move constructor... commit | commitdiff | tree | snapshot
2012-09-04 Teemu MurtolaAllow 'atomname' and 'atomtype' in selections. commit | commitdiff | tree | snapshot
2012-09-03 Szilard PallMerge branch 'release-4-5-patches' into release-4-6 commit | commitdiff | tree | snapshot
2012-09-03 Roland SchulzFix VMD plugins on Windows commit | commitdiff | tree | snapshot
2012-09-02 Roland SchulzFix stack error in grompp commit | commitdiff | tree | snapshot
2012-08-31 Teemu MurtolaReorganize CommandLineHelpWriter implementation. commit | commitdiff | tree | snapshot
2012-08-31 Teemu MurtolaRemove obsolete .gitignore entries. commit | commitdiff | tree | snapshot
2012-08-30 Teemu MurtolaMore generic way to obtain OptionInfo for options. commit | commitdiff | tree | snapshot
2012-08-30 Roland SchulzFixes too many backup files for *.nroff files commit | commitdiff | tree | snapshot
2012-08-30 Teemu MurtolaFix SelectionParserParameter move constructor problem. commit | commitdiff | tree | snapshot
2012-08-29 Berk Hessbug fix for pme.c MPI_COMM_NULL fix dcf8b67e commit | commitdiff | tree | snapshot
2012-08-28 Teemu MurtolaEnable C++ use in selection methods. commit | commitdiff | tree | snapshot
2012-08-28 Teemu MurtolaAdd syntax to force selection string matching mode. commit | commitdiff | tree | snapshot
2012-08-28 Teemu MurtolaRemove remaining GMX_ERROR uses. commit | commitdiff | tree | snapshot
2012-08-28 Teemu MurtolaFix internal error with selection "resname help". commit | commitdiff | tree | snapshot
2012-08-28 Teemu MurtolaHandle SelectionParserParameter as a value type. commit | commitdiff | tree | snapshot
2012-08-28 Teemu MurtolaC++ classes for selection parser values. commit | commitdiff | tree | snapshot
2012-08-28 Teemu MurtolaC++ classes for selection parser parameters. commit | commitdiff | tree | snapshot
2012-08-28 Teemu MurtolaC++ classes for selection parser symbol table. commit | commitdiff | tree | snapshot
2012-08-28 Teemu MurtolaRationalize selection element name handling. commit | commitdiff | tree | snapshot
2012-08-28 Teemu MurtolaMoved selection parser helpers into separate file. commit | commitdiff | tree | snapshot
2012-08-28 Teemu MurtolaUse smart pointers to manage the selection tree. commit | commitdiff | tree | snapshot
2012-08-28 Teemu MurtolaRemove most uses of t_selelem::refcount. commit | commitdiff | tree | snapshot
2012-08-28 Teemu MurtolaAdded a sfree_guard for exception safety. commit | commitdiff | tree | snapshot
2012-08-23 Sander PronkNewer version of thread_mpi, with various fixes, includ... commit | commitdiff | tree | snapshot
2012-08-22 Bogdan IorgaAdded PGLU entry in aminoacids.n.tdb for OPLS-AA. commit | commitdiff | tree | snapshot
2012-08-20 Christoph JunghansMerge "Fixing of things associated with aminoacid.rtp... commit | commitdiff | tree | snapshot
2012-08-20 Christoph JunghansMerge "Clean up some variable naming for eigensolving... commit | commitdiff | tree | snapshot
2012-08-20 Christoph JunghansMerge "Fix coordinate is zero check in gmxcheck" into... commit | commitdiff | tree | snapshot
2012-08-20 Christoph JunghansMerge "Explicitly noted an issue with use of genbox... commit | commitdiff | tree | snapshot
2012-08-18 Roland SchulzMerge "fix AdResS and long-range electrostatics warning... commit | commitdiff | tree | snapshot
2012-08-16 Roland SchulzFix coordinate is zero check in gmxcheck commit | commitdiff | tree | snapshot
2012-08-16 David van der... Optional computation of fluct. props in g_energy. Fixes... commit | commitdiff | tree | snapshot
2012-08-14 Mark AbrahamExplicitly noted an issue with use of genbox -maxsol commit | commitdiff | tree | snapshot
2012-08-14 Mark AbrahamDon't silently accept genbox -nmol without -ci commit | commitdiff | tree | snapshot
2012-08-13 Christoph Junghansfix AdResS and long-range electrostatics warning commit | commitdiff | tree | snapshot
2012-08-11 Mark AbrahamClean up some variable naming for eigensolving commit | commitdiff | tree | snapshot
2012-08-11 Roland SchulzMake GCC OpenMP libraries static if GMX_PREFER_STATIC_O... commit | commitdiff | tree | snapshot
2012-08-11 Roland SchulzGuarantee OpenMP flags for linker and make them user... commit | commitdiff | tree | snapshot
2012-08-11 Mark AbrahamFixing of things associated with aminoacid.rtp header commit | commitdiff | tree | snapshot
2012-08-10 Mark AbrahamAdded TIP4P back into CHARMM27 commit | commitdiff | tree | snapshot
2012-08-09 Berk Hessfixed trjconv not writing velocities with cpt input commit | commitdiff | tree | snapshot
2012-08-08 Teemu MurtolaImprove the build system for gmx_header_config.h. commit | commitdiff | tree | snapshot
2012-08-07 Christoph JunghansMerge "fixed incorrect TPI results with dynamic box... commit | commitdiff | tree | snapshot
2012-08-07 Carsten KutznerFixed essential dynamics / flooding group PBC serial commit | commitdiff | tree | snapshot
2012-08-06 Berk Hessfixed incorrect TPI results with dynamic box commit | commitdiff | tree | snapshot
2012-08-06 Christoph JunghansMerge "Clarify TestFileManager naming and comments." commit | commitdiff | tree | snapshot
2012-08-06 Christoph JunghansMerge "Added comment in get_structure about which struc... commit | commitdiff | tree | snapshot
2012-08-06 Carsten KutznerFixed calculation of projection for STAR and/or SORI commit | commitdiff | tree | snapshot
2012-08-06 Carsten KutznerAdded comment in get_structure about which structures... commit | commitdiff | tree | snapshot
2012-08-05 Roland SchulzRemove share/tutor commit | commitdiff | tree | snapshot
2012-08-05 Teemu MurtolaImprove Doxygen output layout. commit | commitdiff | tree | snapshot
2012-08-05 Teemu MurtolaClarify TestFileManager naming and comments. commit | commitdiff | tree | snapshot
2012-08-04 Roland SchulzMerge "Fixed segv in essential dynamics module" into... commit | commitdiff | tree | snapshot
2012-08-03 Carsten KutznerFixed segv in essential dynamics module commit | commitdiff | tree | snapshot
2012-08-03 Roland SchulzFix overlapping memcpy commit | commitdiff | tree | snapshot
2012-08-02 Christoph JunghansAdd note about SD integrator and t-coupling commit | commitdiff | tree | snapshot
2012-08-01 Roland SchulzFix use after free memory error with adress commit | commitdiff | tree | snapshot
2012-07-31 Michael ShirtsAdded a check for efep that was missing. commit | commitdiff | tree | snapshot
2012-07-31 Christoph JunghansMerge "Clarified reasons for termination of EM" into... commit | commitdiff | tree | snapshot
2012-07-30 Mark AbrahamClarified reasons for termination of EM commit | commitdiff | tree | snapshot
2012-07-29 Michael ShirtsFix in when to call the constraints for andersen. commit | commitdiff | tree | snapshot
2012-07-29 Roland SchulzFix GMX_USE_RELATIVE_INSTALL_PATH with GMX_INTERNAL_BOOST commit | commitdiff | tree | snapshot
2012-07-29 Roland SchulzFix Segfaults in Genion commit | commitdiff | tree | snapshot
2012-07-29 Teemu MurtolaReorganize Doxygen build. commit | commitdiff | tree | snapshot
2012-07-28 Christoph JunghansMerge "Increase miminum boost version to 1.44" commit | commitdiff | tree | snapshot
2012-07-28 Christoph JunghansMerge "Fix a few doxygen warnings." commit | commitdiff | tree | snapshot
2012-07-28 Roland SchulzMerge "Fix clang 3.2 warnings." commit | commitdiff | tree | snapshot
2012-07-28 Roland SchulzIncrease miminum boost version to 1.44 commit | commitdiff | tree | snapshot
2012-07-27 Teemu MurtolaFix clang 3.2 warnings. commit | commitdiff | tree | snapshot
2012-07-27 Teemu MurtolaFix a few doxygen 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
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