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Remove unused environment variables from docs
[alexxy/gromacs.git] / docs / release-notes /
2021-11-01 Eliane BriandAdd DSSP v4 support to do_dssp tree | commitdiff
2021-10-29 Berk HessReimplement constant acceleration groups tree | commitdiff
2021-10-26 Joe JordanUse correct c0 parameter in Me2PO4 in OPLSAA tree | commitdiff
2021-10-26 Mark AbrahamMinor improvements to gmx wham output tree | commitdiff
2021-10-24 Kevin BoydUpdate release notes for gmx msd and clear some TODOs 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 KehlFix webpage. tree | commitdiff
2021-10-05 Sebastian KehlAdd release notes. tree | commitdiff
2021-10-05 Dmitry MorozovQMMM description and release notes update tree | commitdiff
2021-09-29 Eliane BriandRelax requirement for bonded atom type names 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
2021-09-22 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
2021-09-10 Berk HessCompute correct dV/dl when nstcalcenergy % nstdhdl... 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
2021-08-19 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
2021-08-16 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
2021-07-02 Berk HessRevert "GROMACS 2021.3 release" tree | commitdiff
2021-07-01 Berk HessGROMACS 2021.3 release tree | commitdiff
2021-06-29 Paul BauerMerge branch release-2021 into master 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 Alexey ShvetsovAllow to build and install nblib and gmxapi without... 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 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
2021-05-17 Paul BauerFix webpage build tree | commitdiff
2021-05-17 Paul BauerAdd missing release note 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
2021-05-03 Mark AbrahamRespect umask when creating temporary file 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
2021-04-15 Andrey AlekseenkoEnsure coordinates are copied for dipole moment calculation tree | commitdiff
2021-04-13 Berk HessImplement dynamic pair search for EM tree | commitdiff
2021-04-11 Paul BauerFix Apple OpenCL build and add to CI tree | commitdiff
2021-04-11 Roland SchulzFix compile with Intel oneAPI 2021.2 tree | commitdiff
2021-03-26 Szilárd PállAllow setting nbnxm cluster size for SYCL tree | commitdiff
2021-03-25 Paul BauerFix webpage build tree | commitdiff
2021-03-25 Berk HessFix grompp position restraint reference check tree | commitdiff
2021-03-23 Paul BauerFix gromos bond types tree | commitdiff
2021-03-23 Paul BauerPrevent creating string from nullptr in plugin loading tree | commitdiff
2021-03-16 Kevin BoydMigrate gmx msd to the trajectoryanalysis framework tree | commitdiff
2021-03-08 Paul BauerPrepare branch for 2021.2 point release tree | commitdiff
2021-03-08 Paul BauerGROMACS 2021.1 release tree | commitdiff
2021-03-05 Paul BauerRemove physical constant enums tree | commitdiff
2021-03-05 Paul BauerMerge branch release-2020 into merge-2020-into-2021 tree | commitdiff
2021-03-03 Paul BauerGROMACS 2020.6 release tree | commitdiff
2021-03-03 Pascal MerzRemove velocity from partially frozen atoms in md-vv tree | commitdiff
2021-03-03 Mark AbrahamRemove PDO reading from gmx wham tree | commitdiff
2021-03-02 Magnus LundborgDisable awh-potential=convolved when using AWH with... tree | commitdiff
2021-03-01 Mark AbrahamVarious fixes for gmx xpm2ps tree | commitdiff
2021-03-01 Berk HessFix mass perturbation to dH/dlambda tree | commitdiff
2021-02-26 Paul BauerFix webpage build tree | commitdiff
2021-02-26 Mark AbrahamFix MiMiC with vsites tree | commitdiff
2021-02-26 Magnus LundborgIntroduce a check (in grompp) that AWH FEP sampling... tree | commitdiff
2021-02-25 Pascal MerzDisable cos acceleration for non leap-frog code paths tree | commitdiff
2021-02-23 Paul BauerFix range check bug in gmx covar tree | commitdiff
2021-02-12 Mark AbrahamMerge branch release-2021 into master tree | commitdiff
2021-02-12 Mark AbrahamImprove CUDA codegen flags tree | commitdiff
2021-02-12 Pascal MerzMove virtual site calculation tree | commitdiff
2021-02-10 Berk HessFix gmx_rmpbc_init with InteractionDefinitions tree | commitdiff
2021-02-09 Paul BauerFix range check bug in gmx covar tree | commitdiff
2021-02-05 Cathrine BerghUpdated logos tree | commitdiff
2021-02-05 Mark AbrahamRemove VMX SIMD tree | commitdiff
2021-02-04 Mark AbrahamDefine M_PI when it is not defined tree | commitdiff
2021-02-04 Mark AbrahamRemove support for ARMv7 and NEON tree | commitdiff
2021-02-03 Mark AbrahamRemove support for Intel classic compiler tree | commitdiff
2021-02-02 Andrey AlekseenkoRemove deprecated env. vars GMX_OCL_NB_ANA_EWALD etc tree | commitdiff
2021-02-01 Mark AbrahamRemove x86 MIC support tree | commitdiff
2021-02-01 Mark AbrahamAdd necessary include tree | commitdiff
2021-01-29 Christian BlauUpdate release note on QM/MM deprication tree | commitdiff
2021-01-29 Mark AbrahamMerge branch release-2021 tree | commitdiff
2021-01-29 Paul BauerPrepare for first 2021 patch release tree | commitdiff
2021-01-28 Paul BauerGROMACS 2021 release tree | commitdiff
2021-01-27 Pascal MerzRemove constant acceleration groups tree | commitdiff
2021-01-26 Szilárd PállChange default Ewald kernel to tabulated on NVIDIA... tree | commitdiff
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