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Avoid rounding errors affecting results in one test
[alexxy/gromacs.git] / src /
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
2015-04-30 Michael ShirtsFix for rarely occuring replica exchange error. 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
2015-02-12 Berk HessRe-fixed PME bug with high OpenMP thread count tree | commitdiff
2015-02-04 Berk HessCorrect CUDA kernel energy flag tree | commitdiff
2015-02-02 Mark AbrahamAvoid near-silent generation of zero energies tree | commitdiff
2015-02-02 Mark AbrahamFix use of simd.h tree | commitdiff
2015-01-21 Berk HessCorrected RDTSCP warning text tree | commitdiff
2015-01-15 Berk HessFix allocation issue with VV integrator 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
2014-12-10 Szilard PallFix nstep command line override print tree | commitdiff
2014-12-09 Berk HessFix recent bug with trilinic 1D DD 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
2014-11-26 Ake SandgrenFix problem with mixed affinity mask on different nodes. tree | commitdiff
2014-11-26 Berk HessFixed triclinic 1xNx1 domain decomposition 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
2014-11-24 David van der SpoelAdded warnings for ewald-geometry and surface-epsilon 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
2014-10-17 Mark AbrahamExtend gmock to turn off socket listener tree | commitdiff
2014-10-13 Mark AbrahamMerge release-4-6 into release-5-0 tree | commitdiff
2014-10-07 Berk HessFixes issue with vsiten and Verlet buffers 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 Berk HessAvoid PME tuning decreasing rcoulomb 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
2014-09-22 Roland SchulzFix message about incorrect usage of dihedral type 9 tree | commitdiff
2014-09-18 Mark AbrahamMerge branch release-4-6 into release-5-0 tree | commitdiff
2014-09-18 Roland SchulzFix double linkage for tests tree | commitdiff
2014-09-17 Roland SchulzFix shared libs for Mingw tree | commitdiff
2014-09-16 Roland SchulzFix warnings for ICC 15 tree | commitdiff
2014-09-11 Erik LindahlEnable static anon namespace workaround on pathscale tree | commitdiff
2014-09-09 Szilárd PállFix malformed CUDA version macro check 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
2014-09-05 Roland SchulzFix build for external boost 1.56.0 tree | commitdiff
2014-09-04 Erik LindahlK-computer specific modifications tree | commitdiff
2014-09-04 Christoph Junghanscmake: missing quote tree | commitdiff
2014-09-03 Roland SchulzFix MingW build tree | commitdiff
2014-09-03 Erik LindahlFixed sc_power==48 crash in single precision tree | commitdiff
2014-09-03 Mark AbrahamFix mis-use of fabs in LAPACK tree | commitdiff
2014-09-03 Roland SchulzFix that TNG tests were not run tree | commitdiff
2014-09-03 Erik LindahlFixed preprocessor error for AVX_128_FMA simd tree | commitdiff
2014-09-02 Erik LindahlFix formatting of fatal errors in g_bar tree | commitdiff
2014-09-02 Roland SchulzFix PRINT_ALLOC_KB output tree | commitdiff
2014-09-02 Magnus LundborgTNG Fix for GMX_DOUBLE builds and where ZLIB is not... tree | commitdiff
2014-09-02 Magnus LundborgFix data block length when uncompressing TNG data. tree | commitdiff
2014-09-01 Magnus LundborgTNG: Handle large files on 32 bit systems. tree | commitdiff
2014-09-01 Justin LemkulUpdated x-axis label for g_wham. tree | commitdiff
2014-09-01 Magnus LundborgWhen writing TNG include file closing in wallcycle. tree | commitdiff
2014-09-01 Mark AbrahamMerge "Merge branch release-4-6 into release-5-0" into... tree | commitdiff
2014-09-01 Mark AbrahamFixes and updates to BlueGene/Q support tree | commitdiff
2014-09-01 Mark AbrahamMerge branch release-4-6 into release-5-0 tree | commitdiff
2014-09-01 Mark AbrahamMerge "Merge branch release-4-6 into release-5-0" into... tree | commitdiff
2014-08-31 Erik LindahlAdded negative zero preprocessor constants tree | commitdiff
2014-08-30 David van der SpoelFixes issue with vsiten and verlet buffers. tree | commitdiff
2014-08-29 Mark AbrahamMerge branch release-4-6 into release-5-0 tree | commitdiff
2014-08-28 Berk HessFixed two PME issues with MPI+OpenMP tree | commitdiff
2014-08-25 Berk HessFixed bugs in vsiteN with OpenMP tree | commitdiff
2014-08-24 Berk HessInitialize unused velocity constraint components tree | commitdiff
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