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SYCL: Avoid using no_init read accessor in rocFFT
[alexxy/gromacs.git] / docs /
2021-11-04 Andrey AlekseenkoRemove unused environment variables from docs tree | commitdiff
2021-11-03 Andrey AlekseenkoUnify handling of GMX_ENABLE_GPU_TIMING and GMX_DISABLE... tree | commitdiff
2021-11-03 Andrey AlekseenkoDisable fastmath with OpenCL on Intel devices tree | commitdiff
2021-11-03 Andrey AlekseenkoFix random typos tree | commitdiff
2021-11-01 Eliane BriandAdd DSSP v4 support to do_dssp tree | commitdiff
2021-10-29 Berk HessReimplement constant acceleration groups tree | commitdiff
2021-10-29 Mark AbrahamGeneralize constraints on MPI rank counts for tests tree | commitdiff
2021-10-26 ejjordanDocument clang11 in developer docs tree | commitdiff
2021-10-26 Joe JordanUse correct c0 parameter in Me2PO4 in OPLSAA tree | commitdiff
2021-10-26 Artem ZhmurovFix the cobined bending-torsion potential entry in... tree | commitdiff
2021-10-26 Mark AbrahamMinor improvements to gmx wham output tree | commitdiff
2021-10-26 Mark AbrahamRemove/replace many mentions of Jenkins tree | commitdiff
2021-10-26 Joe JordanAdd missing parameter to dihedral docs tree | commitdiff
2021-10-25 Roland SchulzFix #3300 tree | commitdiff
2021-10-24 Kevin BoydUpdate release notes for gmx msd and clear some TODOs tree | commitdiff
2021-10-21 Mark AbrahamSupport clang 13 in CI tree | commitdiff
2021-10-21 Berk HessImprove AWH bias sharing documentation tree | commitdiff
2021-10-19 Andrey AlekseenkoFix harmless Sphinx warning tree | commitdiff
2021-10-18 Andrey AlekseenkoMerge release-2021 into master tree | commitdiff
2021-10-18 Andrey AlekseenkoDisable PME Mixed mode with FEP tree | commitdiff
2021-10-15 M. Eric IrrgangRequire pybind 2.6 from environment for gmxapi Python... tree | commitdiff
2021-10-14 Alan GrayPipeline GPU PME Spline/Spread with PP Comms tree | commitdiff
2021-10-13 M. Eric IrrgangFix typos regarding FindPython3 CMake module hint. tree | commitdiff
2021-10-05 Berk HessMake AWH bias sharing more flexible tree | commitdiff
2021-10-05 Sebastian KehlUncapitalize sc-gapsys parameters in input. tree | commitdiff
2021-10-05 Sebastian KehlUpdate documentation with changed sc-gapsys parameter... tree | commitdiff
2021-10-05 Sebastian KehlFix webpage. tree | commitdiff
2021-10-05 Sebastian KehlAdd release notes. tree | commitdiff
2021-10-05 Sebastian KehlUpdate user-guide and reference manual. tree | commitdiff
2021-10-05 Sebastian KehlAdd gapsys softcore function. tree | commitdiff
2021-10-05 Dmitry MorozovQMMM description and release notes update tree | commitdiff
2021-10-04 Berk HessAdd transformation pull coord mdp examples tree | commitdiff
2021-09-29 Eliane BriandRelax requirement for bonded atom type names tree | commitdiff
2021-09-29 Dmitry MorozovActivate QMMM MDModule tree | commitdiff
2021-09-29 Artem ZhmurovUpdate links to googletests and remove some refs to... tree | commitdiff
2021-09-29 Magnus LundborgSIMD support for nonbonded free-energy kernels tree | commitdiff
2021-09-28 Berk HessFix bug with vsites, DD, OpenMP and large systems tree | commitdiff
2021-09-27 Berk HessUse term "collective variable" in manual tree | commitdiff
2021-09-24 Berk HessAdd manual subsection for transformation pull coord tree | commitdiff
2021-09-22 Mark AbrahamRemove ResidueTypeMap dependency from gmx chi tree | commitdiff
2021-09-15 Mark AbrahamMake static selections of large index groups work. tree | commitdiff
2021-09-14 Andrey AlekseenkoMerge remote-tracking branch 'origin/release-2021'... tree | commitdiff
2021-09-13 Berk HessAdd release notes for transformation pull coordinate tree | commitdiff
2021-09-13 Mark AbrahamFix issues from downstream patches and suppressions tree | commitdiff
2021-09-13 Dmitry MorozovAdded CP2K related options to CMake files tree | commitdiff
2021-09-10 Berk HessCompute correct dV/dl when nstcalcenergy % nstdhdl... tree | commitdiff
2021-09-06 M. Eric IrrgangDescribe procedure and labeling for MR closure. tree | commitdiff
2021-09-03 Paul BauerAdd support for transformation pull coordinates tree | commitdiff
2021-08-31 Paul BauerRevert "Revert "Add muparser and CMake handling"" tree | commitdiff
2021-08-30 Berk HessFix grompp note on comm removal with posres tree | commitdiff
2021-08-26 M. Eric IrrgangDocument Status labels for issues. tree | commitdiff
2021-08-25 Carsten KutznerFixed typos in replica exchange formulas tree | commitdiff
2021-08-19 Andrey AlekseenkoMerge remote-tracking branch 'origin/release-2021'... tree | commitdiff
2021-08-18 Sebastian WingbermuhlePrepares for the branch GROMACS 2021.4 tree | commitdiff
2021-08-18 Sebastian WingbermuhlePrepares for the GROMACS 2021.3 release tree | commitdiff
2021-08-18 Mark AbrahamEnsure restart with update groups always works tree | commitdiff
2021-08-18 Berk HessFix mdrun -ddorder pp_pme tree | commitdiff
2021-08-17 Andrey AlekseenkoMake ExpfitTest.EffnERREST well defined tree | commitdiff
2021-08-17 Andrey AlekseenkoRandom cosmetic fixes tree | commitdiff
2021-08-16 M. Eric IrrgangUpdates for updated Python version requirement. tree | commitdiff
2021-08-16 Berk Hessgrompp no longer modifies nstcomm tree | commitdiff
2021-08-12 Mark AbrahamFix bugs in gmx chi and gmx angle tree | commitdiff
2021-08-11 M. Eric IrrgangAllow gmxapi Python package to build with all 2021... tree | commitdiff
2021-08-06 M. Eric IrrgangAdd a helpful dev docs link. tree | commitdiff
2021-08-03 Mark AbrahamUpdate bundled GoogleTest to current HEAD tree | commitdiff
2021-07-02 Berk HessRevert "GROMACS 2021.3 release" tree | commitdiff
2021-07-01 Berk HessGROMACS 2021.3 release tree | commitdiff
2021-06-29 M. Eric IrrgangTest gmxapi and clients through Py 3.9. tree | commitdiff
2021-06-29 Paul BauerMerge branch release-2021 into master tree | commitdiff
2021-06-29 M. Eric IrrgangAllow gmxapi.commandline.cli to check GMXBIN. tree | commitdiff
2021-06-28 M. Eric IrrgangRestore gmxapi._gmxapi.add_mdmodule() Python functionality. tree | commitdiff
2021-06-21 Eliane BriandReworked convert-tpr runtime extension tree | commitdiff
2021-06-18 Andrey AlekseenkoMinor docs fixes tree | commitdiff
2021-06-18 Alexey ShvetsovAllow to build and install nblib and gmxapi without... tree | commitdiff
2021-06-17 Mark AbrahamFixed docs build tree | commitdiff
2021-06-16 Mark AbrahamMake doxygen assertion more helpful tree | commitdiff
2021-06-16 Mark AbrahamFix reporting of quadrupole moment tree | commitdiff
2021-06-01 Paul BauerFix gmx nmr -viol option tree | commitdiff
2021-05-27 Berk HessAdd AWH references tree | commitdiff
2021-05-27 Artem ZhmurovAdd release notes about REMD with GPU update tree | commitdiff
2021-05-24 M. Eric IrrgangLet installed library options default to BUILD_SHARED_LIBS. tree | commitdiff
2021-05-24 Berk HessFix incorrectly sized ga2la hash table tree | commitdiff
2021-05-24 Mark AbrahamRemove GMX_CONSTRVIR tree | commitdiff
2021-05-17 Paul BauerFix webpage build tree | commitdiff
2021-05-17 Paul BauerAdd missing release note tree | commitdiff
2021-05-10 Pascal MerzClarify builder-time data, introduce simulation-time... tree | commitdiff
2021-05-07 Paul BauerMerge branch release-2021 into merge-2021-into-master tree | commitdiff
2021-05-05 Paul BauerPrepare branch for 2021.2 point release tree | commitdiff
2021-05-05 Paul BauerGROMACS 2021.2 release tree | commitdiff
2021-05-05 Pascal MerzZero modular simulator total energy tree | commitdiff
2021-05-05 Mark AbrahamRestore pull output to rerun tree | commitdiff
2021-05-04 Paul BauerAdd known issues to user guide tree | commitdiff
2021-05-03 Mark AbrahamRespect umask when creating temporary file tree | commitdiff
2021-05-03 Szilárd PállMention the users forums on the user-guide front page tree | commitdiff
2021-05-03 Mark AbrahamFully define IndexGroupsAndNames tree | commitdiff
2021-05-03 Szilárd PállAllow using CPU PME with DD and GPU update tree | commitdiff
2021-04-30 Mark AbrahamProhibit SETTLE interactions on atoms with perturbed... tree | commitdiff
2021-04-26 Paul BauerFix incorrect handling of single residue chains tree | commitdiff
2021-04-17 Mark AbrahamRename files to follow style tree | commitdiff
2021-04-16 Gaurav GargRemove thread-MPI limitation for GPU direct PME-PP... tree | commitdiff
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