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alexxy/gromacs.git
2012-10-19 Roland SchulzMerge branch 'release-4-6' commit | commitdiff | tree | snapshot
2012-10-19 Roland SchulzMerge "renamed pme_switch... to pme_loadbal..." into... commit | commitdiff | tree | snapshot
2012-10-18 Roland SchulzMerge "Added thread affinity API to thread_mpi." into... commit | commitdiff | tree | snapshot
2012-10-18 Berk Hessadded OpenMP parallelization to LINCS projection commit | commitdiff | tree | snapshot
2012-10-17 Berk Hessrenamed pme_switch... to pme_loadbal... commit | commitdiff | tree | snapshot
2012-10-17 Roland SchulzMerge branch 'release-4-6' commit | commitdiff | tree | snapshot
2012-10-17 Roland SchulzMerge branch 'release-4-6', adds the nbnxn functionality commit | commitdiff | tree | snapshot
2012-10-17 KassonMerge "Make Gromacs compile without C++ compiler" into... commit | commitdiff | tree | snapshot
2012-10-16 Roland SchulzMerge "made pair-search with GPU 20% faster" into relea... commit | commitdiff | tree | snapshot
2012-10-16 Roland SchulzMerge "Script for analyzing include dependencies." commit | commitdiff | tree | snapshot
2012-10-16 Carsten KutznerMade g_tune_pme read (ns/day) from 4.6 md.log output... commit | commitdiff | tree | snapshot
2012-10-16 Berk Hessmade pair-search with GPU 20% faster commit | commitdiff | tree | snapshot
2012-10-16 Teemu MurtolaScript for analyzing include dependencies. commit | commitdiff | tree | snapshot
2012-10-15 Teemu MurtolaClean up g_ana angle implementation. commit | commitdiff | tree | snapshot
2012-10-15 Teemu MurtolaExtract Doxygen docs for anonymous namespaces. commit | commitdiff | tree | snapshot
2012-10-15 Teemu MurtolaFix most warnings with Doxygen 1.8.1.1. commit | commitdiff | tree | snapshot
2012-10-15 Teemu MurtolaRemove explicit end-of-array markers from tests. commit | commitdiff | tree | snapshot
2012-10-15 Sander PronkAdded thread affinity API to thread_mpi. commit | commitdiff | tree | snapshot
2012-10-13 David van der... Merge "Fixing issues with replica exchange" into releas... commit | commitdiff | tree | snapshot
2012-10-13 Mark AbrahamFixed install-xxx functionality broken in 9628e27d commit | commitdiff | tree | snapshot
2012-10-12 David van der... Merge "[tools] g_sans - add trajectory avereging" commit | commitdiff | tree | snapshot
2012-10-12 Berk HessMerge "Fix illegal barrier in worksharing" into release-4-6 commit | commitdiff | tree | snapshot
2012-10-12 Roland SchulzFix illegal barrier in worksharing commit | commitdiff | tree | snapshot
2012-10-12 Michael ShirtsFixing issues with replica exchange commit | commitdiff | tree | snapshot
2012-10-10 Christoph Junghansfixed header for 3rd party apps commit | commitdiff | tree | snapshot
2012-10-10 Roland SchulzMake Gromacs compile without C++ compiler commit | commitdiff | tree | snapshot
2012-10-08 Berk Hessmade non-bonded potential shifts mdp options commit | commitdiff | tree | snapshot
2012-10-06 Roland SchulzFix incorrect free commit | commitdiff | tree | snapshot
2012-10-06 Roland SchulzFix compiler warnings commit | commitdiff | tree | snapshot
2012-10-05 Alexey Shvetsov[tools] g_sans - add trajectory avereging commit | commitdiff | tree | snapshot
2012-10-04 Teemu MurtolaUnit tests for insolidangle selections. commit | commitdiff | tree | snapshot
2012-10-04 Roland SchulzMerge "Add occupied fraction and PDB output to g_ana... commit | commitdiff | tree | snapshot
2012-10-04 KassonMerge "Update valgrind suppressions after mem leak... commit | commitdiff | tree | snapshot
2012-10-04 KassonMerge "Support C++11 <regex> as alternative to POSIX... commit | commitdiff | tree | snapshot
2012-10-04 KassonMerge "Encapsulate regexp use in selections." commit | commitdiff | tree | snapshot
2012-10-04 Teemu MurtolaAdd occupied fraction and PDB output to g_ana select. commit | commitdiff | tree | snapshot
2012-10-04 Teemu MurtolaUpdate valgrind suppressions after mem leak fixes. commit | commitdiff | tree | snapshot
2012-10-04 Berk Hessfixed backward compatibility of tpr files with dihres commit | commitdiff | tree | snapshot
2012-10-04 Teemu MurtolaSupport C++11 <regex> as alternative to POSIX regex.h. commit | commitdiff | tree | snapshot
2012-10-04 Teemu MurtolaEncapsulate regexp use in selections. commit | commitdiff | tree | snapshot
2012-10-04 Roland SchulzMerge release-4-6 into master commit | commitdiff | tree | snapshot
2012-10-03 Sander PronkAdded two #defines that state the gromacs API + program... commit | commitdiff | tree | snapshot
2012-10-03 Berk Hessimproved the energy conservation with SETTLE commit | commitdiff | tree | snapshot
2012-10-03 Teemu MurtolaMore selection unit tests for variables and fixes. commit | commitdiff | tree | snapshot
2012-10-02 Christoph JunghansMerge "Merge release-4-6 into master" commit | commitdiff | tree | snapshot
2012-10-02 Teemu MurtolaMore thorough unit tests for plus/merge selections. commit | commitdiff | tree | snapshot
2012-10-02 Szilard Palladded Verlet scheme and NxN non-bonded functionality commit | commitdiff | tree | snapshot
2012-10-01 Roland SchulzMerge release-4-6 into master commit | commitdiff | tree | snapshot
2012-10-01 Roland SchulzMerge release-4-5-patches into release-4-6 commit | commitdiff | tree | snapshot
2012-09-30 Roland SchulzFix problems found by cppcheck 1.56 commit | commitdiff | tree | snapshot
2012-09-28 Teemu MurtolaRemove unused code. commit | commitdiff | tree | snapshot
2012-09-27 Christoph JunghansMerge "Fixed an off-by-one error in atom counting in... commit | commitdiff | tree | snapshot
2012-09-27 Teemu MurtolaMerge "Fix insolidangle selections near poles." into... commit | commitdiff | tree | snapshot
2012-09-27 Sander PronkFixed an off-by-one error in atom counting in gmx_dist. 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
2012-09-25 Christoph JunghansMerge "Fix REMD use of gmx_large_int_t for #steps varia... commit | commitdiff | tree | snapshot
2012-09-24 Teemu MurtolaAdd pdbname selection keyword. commit | commitdiff | tree | snapshot
2012-09-24 Teemu MurtolaAdd pdbname selection keyword. commit | commitdiff | tree | snapshot
2012-09-24 KassonMerge "Fixed segfault with FE code for older tpr files... commit | commitdiff | tree | snapshot
2012-09-24 Mark AbrahamFix REMD use of gmx_large_int_t for #steps variable commit | commitdiff | tree | snapshot
2012-09-18 Teemu MurtolaFixes for numeric and position selection variables. commit | commitdiff | tree | snapshot
2012-09-18 Teemu MurtolaAdd some valgrind suppressions for Mac. commit | commitdiff | tree | snapshot
2012-09-17 Mark AbrahamMade construction of parallel filenames less noisy commit | commitdiff | tree | snapshot
2012-09-16 Teemu MurtolaFix insolidangle selections near poles. commit | commitdiff | tree | snapshot
2012-09-15 KassonMerge "Fix some memory leaks." into release-4-5-patches commit | commitdiff | tree | snapshot
2012-09-15 David van der... Merge "Adapted NMR related data to new pdb format.... commit | commitdiff | tree | snapshot
2012-09-14 Christoph JunghansMerge "fixed recent bug with grompp check for P-R P... commit | commitdiff | tree | snapshot
2012-09-13 Berk Hessfixed recent bug with grompp check for P-R P-coupling commit | commitdiff | tree | snapshot
2012-09-13 Roland SchulzBackport of md-vv rerun check from c7a82654f2eb8992 commit | commitdiff | tree | snapshot
2012-09-13 Sander PronkFixed a deadlock in tMPI_Comm_free() commit | commitdiff | tree | snapshot
2012-09-13 Teemu MurtolaFix some memory leaks. commit | commitdiff | tree | snapshot
2012-09-12 Roland SchulzSet valid build information if gmx_detectcpu fails commit | commitdiff | tree | snapshot
2012-09-12 Mark AbrahamMerge "Don't fail linking if man page building fails... commit | commitdiff | tree | snapshot
2012-09-10 Christoph Junghansupdated references 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
2012-09-10 Roland SchulzMerge "Update use of CPack components and add install... commit | commitdiff | tree | snapshot
2012-09-10 Mark AbrahamCorrected REMD citation 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 David van der... Adapted NMR related data to new pdb format. 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
2012-09-06 Roland SchulzMerge "Fixed .g96 trajectory reading." into release... commit | commitdiff | tree | snapshot
2012-09-06 Roland SchulzDon't fail linking if man page building fails 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 David van der... Made tutorial slightly less confusing. commit | commitdiff | tree | snapshot
2012-09-04 Teemu MurtolaAllow 'atomname' and 'atomtype' in selections. commit | commitdiff | tree | snapshot
2012-09-03 Sander PronkFixed .g96 trajectory reading. commit | commitdiff | tree | snapshot
2012-09-03 KassonMerge "Document correct comm_mode option" into release... commit | commitdiff | tree | snapshot
2012-09-03 KassonMerge "Improved pdb2gmx output" into release-4-5-patches commit | commitdiff | tree | snapshot
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