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Disable PME Mixed mode with FEP
[alexxy/gromacs.git] / docs /
2021-10-18 Andrey AlekseenkoDisable PME Mixed mode with FEP tree | commitdiff
2021-10-13 M. Eric IrrgangFix typos regarding FindPython3 CMake module hint. tree | commitdiff
2021-09-28 Berk HessFix bug with vsites, DD, OpenMP and large systems tree | commitdiff
2021-09-15 Mark AbrahamMake static selections of large index groups work. tree | commitdiff
2021-09-13 Mark AbrahamFix issues from downstream patches and suppressions tree | commitdiff
2021-08-30 Berk HessFix grompp note on comm removal with posres 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
2021-08-12 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
2021-06-28 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
2021-06-16 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
2021-05-24 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
2021-05-05 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
2021-04-15 Andrey AlekseenkoEnsure coordinates are copied for dipole moment calculation 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
2021-03-25 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
2021-03-08 Paul BauerPrepare branch for 2021.2 point release tree | commitdiff
2021-03-08 Paul BauerGROMACS 2021.1 release tree | commitdiff
2021-03-08 Paul BauerRecord Power9 test issues 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
2021-03-02 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
2021-02-19 Andrey AlekseenkoCorrect docs and add safeguard for non-pulsed electric... tree | commitdiff
2021-02-12 Jan-Oliver JoswigChanges from !1119 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
2021-02-04 Mark AbrahamDefine M_PI when it is not defined 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 Paul BauerPrepare for first 2021 patch release tree | commitdiff
2021-01-28 Paul BauerGROMACS 2021 release tree | commitdiff
2021-01-28 Andrey AlekseenkoReintroduce CI job descriptions tree | commitdiff
2021-01-27 Christian BlauClarify lambda vector usage with figure in manual tree | commitdiff
2021-01-26 Szilárd PállChange default Ewald kernel to tabulated on NVIDIA... tree | commitdiff
2021-01-26 Mark AbrahamFix default for xpm2gmx tick-mark spacings tree | commitdiff
2021-01-26 Pascal MerzEnable grompp to read virtual_site1 tree | commitdiff
2021-01-25 Berk HessMTS release note tree | commitdiff
2021-01-21 Mark AbrahamEnsure residue name used by pdb2gmx matches rtp name tree | commitdiff
2021-01-19 Berk HessChange default MTS force group selection tree | commitdiff
2021-01-19 Mark AbrahamDeprecate mdrun -deffnm tree | commitdiff
2021-01-07 Paul BauerAdd new GROMACS logo tree | commitdiff
2021-01-07 Paul BauerMerge branch release-2020 into merge-2020-into-2021 tree | commitdiff
2021-01-07 Christian BlauPrepare for GROMACS 2020.6 tree | commitdiff
2021-01-06 Christian BlauGROMACS version 2020.5 tree | commitdiff
2021-01-05 Szilárd PállUpdate src/regressiontests URLs to https tree | commitdiff
2021-01-01 Michael ShirtsExpanded ensemble changes. tree | commitdiff
2020-12-23 Mark AbrahamDeprecate .pdo file reading tree | commitdiff
2020-12-15 Mark AbrahamUpdate deprecation statuses tree | commitdiff
2020-12-14 Paul BauerFix pull group index handling tree | commitdiff
2020-12-14 Magnus LundborgFix incorrect AWH free-energy output with multiple... tree | commitdiff
2020-12-13 Simon ChristCorrect signs of lj and coulomb forces tree | commitdiff
2020-12-10 Berk HessA check for perturbed listed pairs beyond rlist tree | commitdiff
2020-12-09 Paul BauerFix indexing bug in electric field module tree | commitdiff
2020-12-09 Andrey AlekseenkoFix defining of EXCLUSION_FORCES in CUDA/OpenCL kernels tree | commitdiff
2020-12-07 Pascal MerzFix Nose-Hoover conserved energy tree | commitdiff
2020-12-02 Pascal MerzFix kinetic energy and temperatures reporting tree | commitdiff
2020-11-29 M. Eric IrrgangImprove accessibility of pytest documentation. tree | commitdiff
2020-11-26 Berk HessFix pull fatal error message tree | commitdiff
2020-11-25 Paul BauerFix error with links in docs tree | commitdiff
2020-11-24 Paul BauerMerge branch 'origin/release-2020' into merge-2020... tree | commitdiff
2020-11-24 Paul BauerFix gmx h2order -d option tree | commitdiff
2020-11-23 Paul BauerFixes for Intel and container build fixes tree | commitdiff
2020-11-13 Gilles GouaillardetDetect ARM SVE Vector length if possible tree | commitdiff
2020-11-11 Paul BauerFix gmx do_dssp CHARMM support tree | commitdiff
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