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Fixes #1183 PBC bug in g_mindist
[alexxy/gromacs.git] / src /
2013-03-07 David van der SpoelFixes #1183 PBC bug in g_mindist tree | commitdiff
2013-02-13 David van der SpoelPlain text quotes. tree | commitdiff
2013-01-24 Han Wangfix invalid read in construct_vsites tree | commitdiff
2013-01-18 Roland SchulzFix reading of g96 title tree | commitdiff
2013-01-17 Mark AbrahamMerge "Fix trjconv -sub with .trr files" into release... tree | commitdiff
2013-01-17 Roland SchulzMerge "Added check for valid wall_atomtype in .mdp... tree | commitdiff
2013-01-17 Mark AbrahamFix trjconv -sub with .trr files tree | commitdiff
2013-01-15 Mark AbrahamAdded check for valid wall_atomtype in .mdp tree | commitdiff
2013-01-15 Christoph JunghansMerge "Added fatal error for constraints + L-BFGS minim... tree | commitdiff
2013-01-15 Mark AbrahamVelocity-verlet integrators and v-rescale are broken tree | commitdiff
2013-01-14 Mark AbrahamAdded fatal error for constraints + L-BFGS minimizer tree | commitdiff
2013-01-14 David van der SpoelMerge "Fixing trjconv -sub" into release-4-5-patches tree | commitdiff
2013-01-14 David van der SpoelMerge "Noting that and why gmxdump -s -sys is broken... tree | commitdiff
2013-01-13 Mark AbrahamUpdated code checks with distance restraints tree | commitdiff
2013-01-13 Mark AbrahamFixing trjconv -sub tree | commitdiff
2013-01-13 Mark AbrahamNoting that and why gmxdump -s -sys is broken tree | commitdiff
2013-01-07 Roland SchulzMerge "Print out atom numbers in g_rmsf" into release... tree | commitdiff
2012-12-30 Teemu MurtolaRemove superfluous memory allocation. tree | commitdiff
2012-12-10 Nicholas BreenMinor spelling&header fixes for various man pages tree | commitdiff
2012-11-26 Erik LindahlMerge "Use stat for gmx_is_file. Fix get_libdir with... tree | commitdiff
2012-11-26 David van der SpoelFixes #1035 NaN in g_cluster output. tree | commitdiff
2012-11-24 Roland SchulzUse stat for gmx_is_file. Fix get_libdir with symlinks. tree | commitdiff
2012-11-20 Christoph JunghansMerge "Fixes bug in g_hbond that makes it produce fatal... tree | commitdiff
2012-11-20 David van der SpoelFixes bug in g_hbond that makes it produce fatal error. tree | commitdiff
2012-11-06 Carsten KutznerMade g_tune_pme work correctly when ir->init_step > 0 tree | commitdiff
2012-10-27 Christoph JunghansMerge "Fix large file support" into release-4-5-patches tree | commitdiff
2012-10-26 David van der SpoelMerge "Fixed Pulp Fiction quote" into release-4-5-patches tree | commitdiff
2012-10-21 David van der SpoelFixed Bug #593 about memory hole in trjcat. tree | commitdiff
2012-10-16 Carsten KutznerRemoved obsolete hint in error message. tree | commitdiff
2012-10-08 Manuel LuitzPrint out atom numbers in g_rmsf tree | commitdiff
2012-10-04 David van der SpoelSet return value to FALSE (0) in estimate_dt in libxdrf.c tree | commitdiff
2012-09-30 Roland SchulzFix problems found by cppcheck 1.56 tree | commitdiff
2012-09-27 Christoph JunghansMerge "Fixed an off-by-one error in atom counting in... tree | commitdiff
2012-09-27 Teemu MurtolaMerge "Fix insolidangle selections near poles." into... tree | commitdiff
2012-09-27 Sander PronkFixed an off-by-one error in atom counting in gmx_dist. tree | commitdiff
2012-09-25 Christoph JunghansMerge "Fix REMD use of gmx_large_int_t for #steps varia... tree | commitdiff
2012-09-24 Teemu MurtolaAdd pdbname selection keyword. tree | commitdiff
2012-09-24 Mark AbrahamFix REMD use of gmx_large_int_t for #steps variable tree | commitdiff
2012-09-18 Teemu MurtolaFixes for numeric and position selection variables. tree | commitdiff
2012-09-16 Teemu MurtolaFix insolidangle selections near poles. tree | commitdiff
2012-09-15 KassonMerge "Fix some memory leaks." into release-4-5-patches tree | commitdiff
2012-09-15 David van der SpoelMerge "Adapted NMR related data to new pdb format.... tree | commitdiff
2012-09-14 Christoph JunghansMerge "fixed recent bug with grompp check for P-R P... tree | commitdiff
2012-09-13 Berk Hessfixed recent bug with grompp check for P-R P-coupling tree | commitdiff
2012-09-13 Roland SchulzBackport of md-vv rerun check from c7a82654f2eb8992 tree | commitdiff
2012-09-13 Teemu MurtolaFix some memory leaks. tree | commitdiff
2012-09-10 Mark AbrahamCorrected REMD citation tree | commitdiff
2012-09-06 Roland SchulzMerge "Fixed .g96 trajectory reading." into release... tree | commitdiff
2012-09-03 Sander PronkFixed .g96 trajectory reading. tree | commitdiff
2012-09-03 KassonMerge "Document correct comm_mode option" into release... tree | commitdiff
2012-09-03 KassonMerge "Improved pdb2gmx output" into release-4-5-patches tree | commitdiff
2012-09-02 Roland SchulzFix stack error in grompp tree | commitdiff
2012-08-31 Mark AbrahamImproved pdb2gmx output tree | commitdiff
2012-08-29 Berk Hessbug fix for pme.c MPI_COMM_NULL fix dcf8b67e tree | commitdiff
2012-08-20 Christoph JunghansMerge "Fix coordinate is zero check in gmxcheck" into... tree | commitdiff
2012-08-16 Roland SchulzFix coordinate is zero check in gmxcheck tree | commitdiff
2012-08-16 David van der SpoelOptional computation of fluct. props in g_energy. Fixes... tree | commitdiff
2012-08-09 Berk Hessfixed trjconv not writing velocities with cpt input tree | commitdiff
2012-08-07 Christoph JunghansMerge "fixed incorrect TPI results with dynamic box... tree | commitdiff
2012-08-07 Carsten KutznerFixed essential dynamics / flooding group PBC serial tree | commitdiff
2012-08-06 Berk Hessfixed incorrect TPI results with dynamic box tree | commitdiff
2012-08-06 Christoph JunghansMerge "Added comment in get_structure about which struc... tree | commitdiff
2012-08-06 Carsten KutznerFixed calculation of projection for STAR and/or SORI tree | commitdiff
2012-08-06 Carsten KutznerAdded comment in get_structure about which structures... tree | commitdiff
2012-08-04 Roland SchulzMerge "Fixed segv in essential dynamics module" into... tree | commitdiff
2012-08-03 Carsten KutznerFixed segv in essential dynamics module tree | commitdiff
2012-08-03 Roland SchulzFix overlapping memcpy tree | commitdiff
2012-07-18 Berk Hessfixed DD charge group displacement error check tree | commitdiff
2012-07-09 Christoph JunghansMerge "Fixed bug in sfactor.c that makes g_rdf -sq... tree | commitdiff
2012-07-09 Jochen HubFixed bug in sfactor.c that makes g_rdf -sq give wrong... tree | commitdiff
2012-07-09 Teemu MurtolaFix memory error with complex boolean selections. tree | commitdiff
2012-07-06 Erik MarklundBugfix for the segfault that occurs with g_hbond -hbm... tree | commitdiff
2012-07-03 Elton CarvalhoFixed L-BFGS trajectory output. tree | commitdiff
2012-06-25 Berk Hessfixed segv/hang with EM and foreign lambda values tree | commitdiff
2012-06-21 David van der SpoelFixes #961 - Shake reports wrong error tree | commitdiff
2012-06-20 Erik MarklundCorrect normalization for HB-contact c-correlation. tree | commitdiff
2012-06-19 Mark AbrahamMerge "Fixes #882 - looping bug in trxio.c" into relea... tree | commitdiff
2012-06-19 Christoph JunghansMerge "Quiet linker on BlueGene" into release-4-5-patches tree | commitdiff
2012-06-18 Christoph JunghansMerge "Fix g_lie counting last frame twice" into releas... tree | commitdiff
2012-06-16 David van der SpoelFixes #882 - looping bug in trxio.c tree | commitdiff
2012-06-15 Erik MarklundMakes g_hbond -contact work tree | commitdiff
2012-06-15 Mark AbrahamFix g_lie counting last frame twice tree | commitdiff
2012-06-15 Christoph JunghansMerge "Work around failure of endianness testing on... tree | commitdiff
2012-06-14 Roland SchulzMerge "Made mdrun more verbose about PME split" into... tree | commitdiff
2012-06-11 Carsten KutznerSmall fix for g_tune_pme tree | commitdiff
2012-06-08 Christoph JunghansMerge "Added more suggested strategies to error message... tree | commitdiff
2012-06-06 Mark AbrahamFix endian test functionality tree | commitdiff
2012-06-04 Mark AbrahamAdded more suggested strategies to error message tree | commitdiff
2012-06-01 Christoph JunghansMerge "Replace our fftpack version with Numpy's version... tree | commitdiff
2012-06-01 Roland SchulzReplace our fftpack version with Numpy's version tree | commitdiff
2012-05-31 Mark AbrahamMade mdrun more verbose about PME split tree | commitdiff
2012-05-30 Teemu MurtolaFix use after free in g_anaeig projection code. tree | commitdiff
2012-05-29 Sander PronkRemoved dependency on windows.h through commrec.h,... tree | commitdiff
2012-05-28 Christoph JunghansMerge "Continuing to fix threading on Cygwin" into... tree | commitdiff
2012-05-27 Roland SchulzFix editconf real-bool misusage tree | commitdiff
2012-05-27 Roland SchulzFix Clang 3.1 warning tree | commitdiff
2012-05-26 Mark AbrahamContinuing to fix threading on Cygwin tree | commitdiff
2012-05-21 Berk Hessre-introduced fix for real/double issue in gmx_density tree | commitdiff
2012-05-08 Berk Hessfixed mdrun -cpi SD and pcoupl initialization tree | commitdiff
2012-04-29 Roland SchulzDon't enable ASM if no asm kernel is selected tree | commitdiff
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