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Fix that seeking was wrong if frame time was modified
[alexxy/gromacs.git] / src /
2014-06-20 Roland SchulzFix that seeking was wrong if frame time was modified tree | commitdiff
2014-06-20 Berk HessFixed shells with particle decomposition tree | commitdiff
2014-06-19 Roland SchulzFix ref error in constraint pull code tree | commitdiff
2014-06-18 Erik LindahlFixed CMake 2.8.12+ CUDA dylib bugs and warnings on... tree | commitdiff
2014-06-18 Berk HessFixed sign error in posres dvdl tree | commitdiff
2014-06-17 Erik LindahlDisabled replica exchange when T not in order tree | commitdiff
2014-06-17 Carlo CamilloniFix a Replica Exchange output problem tree | commitdiff
2014-06-17 Berk HessUpdated mdrun -npme documentation tree | commitdiff
2014-06-17 Roland SchulzFix that skipping fails if target is 2nd frame tree | commitdiff
2014-06-17 Berk HessRemoved rounding issue in nbnxn Ewald table tree | commitdiff
2014-06-14 Berk HessFixed PME bug with #OpenMP-threads a large prime tree | commitdiff
2014-06-14 Erik LindahlMake sure figure legends are adapted to xmgr/xmgrace tree | commitdiff
2014-06-13 Berk HessChanged appending file name error message tree | commitdiff
2014-06-13 David van der SpoelFix memory-usage error in g_chi tree | commitdiff
2014-06-13 Erik LindahlForce g_bond to use structure file tree | commitdiff
2014-06-13 Berk HessMade shells work with the Verlet scheme tree | commitdiff
2014-06-12 Berk HessFixed perturbed wall interactions tree | commitdiff
2014-06-12 Berk HessMade gmxcheck -rmsd work again with forces tree | commitdiff
2014-06-12 Erik LindahlMake sure genrestr uses the disre_up2 parameter tree | commitdiff
2014-06-11 Berk HessMade repl_ex time step more readable tree | commitdiff
2014-06-11 Erik LindahlAvoid writing xvgr formatting with -xvg none tree | commitdiff
2014-06-10 Rossen ApostolovPrint in higher precision repl_ex timestep. tree | commitdiff
2014-06-10 Erik LindahlProcess negative sigma correctly with combrule 2 or 3 tree | commitdiff
2014-06-09 Rossen ApostolovIssue a warning for using gmx_rms -prev with large... tree | commitdiff
2014-06-05 Berk HessFixed shift and switch modifiers, particularly for... tree | commitdiff
2014-06-05 Berk HessFix constraint virial with multiple time stepping tree | commitdiff
2014-06-02 Berk HessFixed g_energy Einstein viscosity tree | commitdiff
2014-05-22 Roland SchulzFix memory issue in solvate tree | commitdiff
2014-05-22 Rossen ApostolovNormal modes don't work currently with virtual sites... tree | commitdiff
2014-05-22 Mark AbrahamAdd fatal errors for VV and twin-range MTS tree | commitdiff
2014-05-20 Justin LemkulImprovements to the g_lie help description. tree | commitdiff
2014-05-20 Rossen ApostolovAdded a note about using direction-periodic pulling. tree | commitdiff
2014-05-20 Rossen ApostolovAdded a note about unsupported Verlet cutoff + Buckingham. tree | commitdiff
2014-05-16 David van der SpoelFixes a complicated bug in g_anaeig. tree | commitdiff
2014-05-09 Alexey ShvetsovFix clang 3.5 warnings regarding *abs* tree | commitdiff
2014-04-29 Berk HessRemoved truncation of nrdf in v-rescale thermostat tree | commitdiff
2014-04-22 Roland SchulzFix memory error in asc format IO tree | commitdiff
2014-04-21 Michael ShirtsIssue warnings for potential switch w/o defining switch... tree | commitdiff
2014-04-09 Carlo CamilloniFixed g_rmsdist NOE calculation tree | commitdiff
2014-04-07 Mark AbrahamFix invalid dereference in g_tune_pme tree | commitdiff
2014-04-07 Erik LindahlMake sure water optimization is disabled for esoteric... tree | commitdiff
2014-03-24 Berk HessAdds cut-off checks for triclinic domain decomposition tree | commitdiff
2014-03-23 Berk HessFixed bug in parallel v/f constraining tree | commitdiff
2014-03-17 Mark AbrahamHouse-keeping for MTTK tree | commitdiff
2014-03-14 Carsten KutznerAvoid cross product with zero vector in rotational... tree | commitdiff
2014-03-14 Carsten KutznerThe van der Waals radius must equal the Coulomb radius... tree | commitdiff
2014-03-02 Teemu MurtolaFix incorrect grid cell size in g_sas -nopbc tree | commitdiff
2014-03-01 Mark AbrahamAdd fatal error for Andersen+constraints+DD tree | commitdiff
2014-02-28 Szilard PallImproved CUDA non-bonded kernel performance tree | commitdiff
2014-02-24 Mark AbrahamPermit warning-free use of Andersen thermostat tree | commitdiff
2014-02-21 Mark AbrahamReinstate shell code with DD tree | commitdiff
2014-02-20 Christoph Junghansadded gmx_is_{single,double}_precision tree | commitdiff
2014-02-20 Roland SchulzFix aligned store to unaligned memory tree | commitdiff
2014-02-20 Mark Abrahamavoid mdrun crash when rdtscp is not supported tree | commitdiff
2014-02-11 Jan Henning PetersAdded safety check for fitting group in anaeig. tree | commitdiff
2014-02-08 Mark AbrahamIssue fatal errors rather than use broken shell code tree | commitdiff
2014-02-03 Christoph Junghanscmake eats slashes tree | commitdiff
2014-01-29 Mark AbrahamKeep clang Address Sanitizer happy tree | commitdiff
2014-01-28 Christoph Junghanscmake: added FFTW_URL to allow easy offline build tree | commitdiff
2014-01-28 Mark AbrahamRemove unused fplog tree | commitdiff
2014-01-28 Mark AbrahamUnify logic for timing counts tree | commitdiff
2014-01-28 Szilárd Pállclarified OpenMP-related things in mdrun help/man tree | commitdiff
2014-01-09 David van der SpoelFixed precision in thermal expansion coefficient calc. tree | commitdiff
2014-01-08 Peter KassonCheckpointing fix for Native Client tree | commitdiff
2013-12-29 Peter KassonPatch for Native Client builds. tree | commitdiff
2013-12-29 Christoph Junghanscmake: make GMX_BUILD_OWN_FFTW work without fortran... tree | commitdiff
2013-12-26 Carsten KutznerPass on default value of radstep in make_edi tree | commitdiff
2013-12-25 Carsten KutznerEssential dynamics: move bNeedDoEdsam evaluation to... tree | commitdiff
2013-12-23 Carsten KutznerFixed essential dynamics (ED) continuation from .cpt... tree | commitdiff
2013-12-19 Mark AbrahamFix non-critical typo in #ifdef GMX_OMPEN_MP tree | commitdiff
2013-11-26 Berk HessFixed return value of gmx_mtop_bondeds_free_energy tree | commitdiff
2013-11-19 Szilárd PállFix DD load balancing bug with GPU sharing tree | commitdiff
2013-11-15 Berk Hesscorrected potential nbnxn SIMD memory issue tree | commitdiff
2013-11-13 Szilard PallClarified GPU selection output and mdrun help tree | commitdiff
2013-11-08 Berk Hessfix nbnxn atom sorting with distant bondeds tree | commitdiff
2013-11-07 Berk Hesscorrected dynamic load balancing when sharing GPUs tree | commitdiff
2013-11-06 Szilard Pallenable GPU sharing among tMPI ranks tree | commitdiff
2013-11-05 Berk HessGPU detection is done once per physical node tree | commitdiff
2013-11-05 Berk Hessremoved (harmless) left-over in nbnxn SIMD kernels tree | commitdiff
2013-10-31 Berk Hessreorganized GPU detection and selection tree | commitdiff
2013-10-31 Mark AbrahamRename GMX_IS_* to GMX_TARGET_* tree | commitdiff
2013-10-29 Berk Hesscorrected volume with serial NPT replica exchange tree | commitdiff
2013-10-28 Berk Hessimproved the nbnxn buffer size estimate with GPUs tree | commitdiff
2013-10-26 Roland SchulzFix NBNxN SIMD reference kernels tree | commitdiff
2013-10-22 Berk Hessfixed recent bug with CUDA texture objects tree | commitdiff
2013-10-22 Berk Hessfixed OpenMP threads being pinned to the same cores tree | commitdiff
2013-10-18 Mark AbrahamBlueGene/Q Verlet cut-off scheme kernels tree | commitdiff
2013-10-17 Mark AbrahamFix typo in g_membed documentation tree | commitdiff
2013-10-17 Roland SchulzFix SIMD C reference nbnxn kernels tree | commitdiff
2013-10-17 Michael ShirtsRestarting from checkpoint no longer reinitializes... tree | commitdiff
2013-10-16 Berk Hessavoid division by zero in SIMD angles and dihedrals tree | commitdiff
2013-10-16 Michael Shirtsturning off expanded ensemble for all integrators but... tree | commitdiff
2013-10-16 Berk Hessfixed a half bin misalignment in gmx_vanhove -or tree | commitdiff
2013-10-16 Michael ShirtsFixes a problem with pair type 2 interactions with... tree | commitdiff
2013-10-15 Szilard Pallmake use of CUDA stream priorities tree | commitdiff
2013-10-14 Szilard Palluse CUDA texture objects when supported tree | commitdiff
2013-10-11 Berk Hessintroduced general 4-wide SIMD support tree | commitdiff
2013-10-10 Berk Hessfixed nbnxn 4x8 pair search without AVX tree | commitdiff
2013-10-03 Christoph JunghansFix parallel build for GMX_BUILD_OWN_FFTW tree | commitdiff
2013-10-02 Berk HessFixes reaction field free energy bug tree | commitdiff
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