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Version bumps after new release
[alexxy/gromacs.git] / src / gromacs /
2015-07-19 Mark AbrahamUpdate advice about grompp -t tree | commitdiff
2015-07-17 Carlo CamilloniFixed gmx sasa output residue numbering tree | commitdiff
2015-07-08 Mark AbrahamGive bTypePerturbed a valid initial value tree | commitdiff
2015-07-08 Mark AbrahamFix grompp .edr IO estimate for free-energy calcs tree | commitdiff
2015-07-08 Roland SchulzMerge release-4-6 into release-5-0 tree | commitdiff
2015-07-04 Teemu MurtolaFix copy-paste bug in gmx distance tree | commitdiff
2015-06-29 Erik LindahlFix bugs in gmx dos tree | commitdiff
2015-06-29 Mark AbrahamMerge release-4-6 into release-5-0 tree | commitdiff
2015-06-29 Erik LindahlFix bug removing multiple dihedrals in main rtp entries tree | commitdiff
2015-06-26 Berk HessFixed Verlet buffer issue with 2-wide SIMD tree | commitdiff
2015-06-26 Mark AbrahamMerge release-4-6 into release-5-0 tree | commitdiff
2015-06-24 Mark AbrahamMerge release-4-6 into release-5-0 tree | commitdiff
2015-06-24 Erik LindahlAvoid accessing hackblocks for x2top tree | commitdiff
2015-06-23 Erik LindahlRemoved buggy -smooth hack in hbond module tree | commitdiff
2015-06-22 Erik LindahlUse MPI_THREAD_FUNNELED when available tree | commitdiff
2015-06-22 Erik LindahlFix segfault in random access XTC searching tree | commitdiff
2015-06-22 Erik LindahlFix argument order error for g_rmsdist tree | commitdiff
2015-06-22 Erik LindahlFix gro errors with PDB insertion codes tree | commitdiff
2015-06-20 Erik LindahlUpdated docs for g_gyrate tree | commitdiff
2015-06-20 Erik LindahlFix potential buffer overflow in pdb2gmx tree | commitdiff
2015-06-20 Erik LindahlDisallow infinite epsilon with PME or GB. tree | commitdiff
2015-06-20 Erik LindahlRemove GMX_MAX_MPI_THREADS tree | commitdiff
2015-06-20 Erik LindahlFix reproducibility bug in fft5d tree | commitdiff
2015-06-19 Erik LindahlFix incorrect shift with g_density -center tree | commitdiff
2015-06-16 Mark AbrahamFix pairs_nb not recognized as part of moleculetype tree | commitdiff
2015-06-11 Mark AbrahamMerge "Merge branch release-4-6 into release-5-0" into... tree | commitdiff
2015-06-09 Mark AbrahamDocument limitations of trjconv -dump tree | commitdiff
2015-06-09 Mark AbrahamMerge branch release-4-6 into release-5-0 tree | commitdiff
2015-06-06 Roland SchulzUse stat to check that paths are equivalent tree | commitdiff
2015-05-30 Roland SchulzWork-around for ICC 15 on Phi tree | commitdiff
2015-05-26 Mark AbrahamFix use of hard-coded temporary filename tree | commitdiff
2015-05-23 Mark AbrahamFix misuse of gmx_simd_check_and_reset_overflow tree | commitdiff
2015-05-22 Teemu MurtolaAvoid crash with empty reference for 'same as' selection tree | commitdiff
2015-05-20 Teemu MurtolaFix handling of real-valued 'to' selection ranges tree | commitdiff
2015-05-15 Szilard PallAssert the size of non-bonded GPU work units tree | commitdiff
2015-05-14 Szilard PallMerge release-4-6 into release-5-0 tree | commitdiff
2015-05-13 Berk HessFix segv in g_covar tree | commitdiff
2015-05-12 Mark AbrahamFix uninitialized fields in grompp t_state tree | commitdiff
2015-05-06 Mark AbrahamFixed recently-introduced couple-lambda warning message tree | commitdiff
2015-05-06 Szilárd PállMerge "Merge release-4-6 into release-5-0" into release-5-0 tree | commitdiff
2015-05-05 Mark AbrahamMerge release-4-6 into release-5-0 tree | commitdiff
2015-05-05 Teemu MurtolaAvoid rounding errors affecting results in one test tree | commitdiff
2015-05-05 Justin LemkulFix for trjconv preserving box dimensions. tree | commitdiff
2015-04-30 Olivier FisetteFix error handling in gmx_tmpnam tree | commitdiff
2015-04-28 Berk HessRe-enabled FMA for AVX-128-FMA tree | commitdiff
2015-04-17 Berk HessCorrect -ntmpi auto for intel nehalem and older tree | commitdiff
2015-04-09 David van der SpoelClarified comments for time-dependent electric fields. tree | commitdiff
2015-04-08 David van der SpoelFixed incorrect output of gb_algorith as sa_algorithm. tree | commitdiff
2015-03-19 Mark AbrahamMade error message more generic tree | commitdiff
2015-03-05 Mark AbrahamFix Andersen thermostats tree | commitdiff
2015-02-14 Erik Marklundgmx hbond no longer removes PBC when none is present tree | commitdiff
2015-02-12 Roland SchulzMerge release-4-6 into release-5-0 tree | commitdiff
2015-02-04 Berk HessCorrect CUDA kernel energy flag tree | commitdiff
2015-02-02 Mark AbrahamFix use of simd.h tree | commitdiff
2015-01-21 Berk HessCorrected RDTSCP warning text tree | commitdiff
2015-01-14 Mark AbrahamFix and suppress warnings on BlueGene/Q tree | commitdiff
2015-01-08 Mark AbrahamHandle ivec* correctly in DD error message tree | commitdiff
2014-12-22 Berk HessFixed pbc=xy + 2 walls + Verlet scheme tree | commitdiff
2014-12-22 Berk HessFix bug FE + GPU + 2/3D domain decomposition tree | commitdiff
2014-12-15 Mark AbrahamMerge "Merge release-4-6 into release-5-0" into release-5-0 tree | commitdiff
2014-12-11 Mark AbrahamMerge release-4-6 into release-5-0 tree | commitdiff
2014-12-11 Berk HessAdded grompp error for pulling to negative distance tree | commitdiff
2014-12-09 Carsten KutznerMake tune_pme understand the "-nsteps" option. Fixes... tree | commitdiff
2014-12-08 Berk HessFixed pull coord init with rate!=0, t_start!=0 tree | commitdiff
2014-12-08 Mark AbrahamFix group-scheme bug with changing LJ parameters in FE tree | commitdiff
2014-12-08 Berk HessAdded PBC note to comm-mode=angular warning tree | commitdiff
2014-12-05 Berk HessClarified grompp pull error messages tree | commitdiff
2014-12-05 Berk HessAvoid race on dvdl with Verlet+OpenMP+LINCS+FE+VV tree | commitdiff
2014-12-01 Berk HessAdded warning for unnecessary soft-core tree | commitdiff
2014-11-27 Mark AbrahamRemove use of interaction_mask_indices on BG/Q tree | commitdiff
2014-11-27 Mark AbrahamMerge branch release-4-6 into release-5-0 tree | commitdiff
2014-11-25 Berk HessFixed twin-range + freeze + constraints tree | commitdiff
2014-11-24 Berk HessAvoid NaN in rlist buffer calculation tree | commitdiff
2014-11-24 Magnus LundborgWhen writing TNG the input must contain molecule data. tree | commitdiff
2014-11-12 Berk HessCorrected parameter for sorting on search grid tree | commitdiff
2014-11-12 Berk HessFix DD bonded interaction range print tree | commitdiff
2014-11-12 Carsten KutznerUpdated some .mdp file variables to use "-" instead... tree | commitdiff
2014-10-29 Teemu MurtolaImprove analysis nbsearch grid mapping tree | commitdiff
2014-10-28 Teemu MurtolaAvoid common.h inclusion in CUDA code tree | commitdiff
2014-10-20 Berk HessRemoved f_novirsum reduction in Verlet scheme tree | commitdiff
2014-10-20 Carsten KutznerFix order of ED/swap blocks during checkpoint reading. tree | commitdiff
2014-10-13 Mark AbrahamMerge release-4-6 into release-5-0 tree | commitdiff
2014-10-06 Mark AbrahamFix trjconv -split not closing files tree | commitdiff
2014-10-01 Carsten KutznerAllow gmx tune_pme to skip the check for command-line... tree | commitdiff
2014-09-30 Szilard PallFix incorrect LJ cut-off with GPU + PME tuning tree | commitdiff
2014-09-30 Berk HessAvoid DLB with overloaded PME ranks tree | commitdiff
2014-09-30 Berk HessAdded GPU local wait to load balancing tree | commitdiff
2014-09-30 Erik LindahlAvoid using function calls in OpenMP directives tree | commitdiff
2014-09-29 Berk HessDomain decomposition now checks the rlist buffer tree | commitdiff
2014-09-29 Berk HessSIMD acceleration for RB dihedrals tree | commitdiff
2014-09-29 Mark AbrahamMerge "Merge release-4-6 into release-5-0" into release-5-0 tree | commitdiff
2014-09-29 Roland SchulzMerge release-4-6 into release-5-0 tree | commitdiff
2014-09-29 Berk HessFix calc_grid avoiding PME grid factor 84 tree | commitdiff
2014-09-26 Szilárd PállFix incorrect assertion statement tree | commitdiff
2014-09-23 David van der SpoelFixes potential bug in neighborsearching. tree | commitdiff
2014-09-18 Mark AbrahamMerge branch release-4-6 into release-5-0 tree | commitdiff
2014-09-17 Roland SchulzFix shared libs for Mingw tree | commitdiff
2014-09-11 Erik LindahlEnable static anon namespace workaround on pathscale tree | commitdiff
2014-09-09 Berk HessFixed DD state collection issue tree | commitdiff
2014-09-08 Berk HessCheck for implicit solvent + Verlet scheme tree | commitdiff
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