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Remove gmxapi roadmap.rst and acceptance tests.
[alexxy/gromacs.git] / docs /
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 Mark AbrahamRemove GMX_CONSTRVIR 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
2021-04-16 Pascal MerzIntroduce position and velocity scaling propagators tree | commitdiff
2021-04-15 Andrey AlekseenkoEnsure coordinates are copied for dipole moment calculation tree | commitdiff
2021-04-14 Andrey AlekseenkoAdd GMX_GPU_SYCL_NO_SYNCHRONIZE environment variable tree | commitdiff
2021-04-13 Berk HessImplement dynamic pair search for EM tree | commitdiff
2021-04-12 Mark AbrahamImprove docs and naming for MdModulesNotifiers 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
2021-04-02 Pascal MerzClarify connection of temperature / pressure coupling... tree | commitdiff
2021-03-29 Andrey AlekseenkoFix webpage build tree | commitdiff
2021-03-27 Mark AbrahamUpdate developer guide on error handling 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
2021-03-13 Paul BauerRemove cyclic dependency check from check-source 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 BauerRemove physical constant enums tree | commitdiff
2021-03-05 Mark AbrahamIntroduce StringToEnumValue tree | commitdiff
2021-03-05 Paul BauerMerge branch release-2020 into merge-2020-into-2021 tree | commitdiff
2021-03-03 M. Eric IrrgangCreate a documentation section for GitLab Label guidelines. 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
2021-02-19 Andrey AlekseenkoCorrect docs and add safeguard for non-pulsed electric... tree | commitdiff
2021-02-18 Pascal MerzImplement velocity terms for virtual sites 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 Jan-Oliver JoswigChanges from !1119 tree | commitdiff
2021-02-12 Pascal MerzMove virtual site calculation tree | commitdiff
2021-02-11 Paul BauerPrepare changes to docker images for python packages tree | commitdiff
2021-02-10 Berk HessFix gmx_rmpbc_init with InteractionDefinitions tree | commitdiff
2021-02-09 Pascal MerzMake temperature and pressure coupling enums enum classes tree | commitdiff
2021-02-09 Mark AbrahamRemove tree-reduce algorithm tree | commitdiff
2021-02-09 Paul BauerFix range check bug in gmx covar tree | commitdiff
2021-02-08 Andrey AlekseenkoDisable FPE for SYCL builds tree | commitdiff
2021-02-06 Mark AbrahamAdd style code for function static variables 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
2021-02-02 Mark AbrahamRemove support for Fujitsu Sparc64 HPC-ACE tree | commitdiff
2021-02-01 Mark AbrahamRemove x86 MIC support tree | commitdiff
2021-02-01 Mark AbrahamAdd necessary include tree | commitdiff
2021-01-31 Mark AbrahamRequire MPI 2.0 tree | commitdiff
2021-01-29 Christian BlauUpdate release note on QM/MM deprication tree | commitdiff
2021-01-29 Roland SchulzUse cxx mpi 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
2021-01-28 Andrey AlekseenkoReintroduce CI job descriptions tree | commitdiff
2021-01-27 Pascal MerzRemove constant acceleration groups 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
2021-01-11 Mark AbrahamRemove mdrun-only build configuration 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
2020-12-18 Mark AbrahamMerge branch release-2021 tree | commitdiff
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