Fix clang 10 -Wimplicit-int-float-conversion warnings
[alexxy/gromacs.git] / docs /
2020-04-12 Mark AbrahamUpdate to clang-tidy-9
2020-04-10 Christoph Junghanscmake: fix exported target
2020-04-09 Paul BauerAdd clang-tidy script
2020-04-09 M. Eric IrrgangAllow useful CI to run in forks
2020-04-03 M. Eric IrrgangPrune change-management.rst and update links.
2020-04-02 M. Eric IrrgangModernize some Python subprocess calls.
2020-03-30 M. Eric IrrgangRequire Python 3.6.
2020-03-27 M. Eric IrrgangBe friendlier w.r.t. linkchecker.
2020-03-25 M. Eric IrrgangMock hpccm import so infrastructure docs build easily.
2020-03-23 M. Eric IrrgangExtract logic for when CI jobs execute.
2020-03-23 M. Eric IrrgangConsolidate .use-gccX CI job mix-in.
2020-03-22 M. Eric IrrgangAdopt CI job naming guidelines.
2020-03-22 M. Eric IrrgangNormalize GitLab-CI *cache* parameter.
2020-03-19 M. Eric IrrgangConsolidate global mix-ins.
2020-03-19 Paul BauerAdd script to generate CI Docker files
2020-03-18 M. Eric IrrgangDocument CI variable and remove unused template.
2020-03-18 M. Eric IrrgangDisable sphinx.ext.viewcode
2020-03-18 M. Eric IrrgangAdd stub Variables documentation to GitLab CI doc.
2020-03-18 Artem ZhmurovMake some doxygen errors more clear
2020-03-16 Christian BlauRemove dysfunctional QMMM interface pt4
2020-03-16 Christian BlauRemove dysfunctional QMMM interface pt2
2020-03-16 M. Eric IrrgangAdd document for containerization infrastructure.
2020-03-16 M. Eric IrrgangAlphabetize list for readability.
2020-03-16 M. Eric IrrgangReformat arguments for readability.
2020-03-15 M. Eric IrrgangMerge conf.py and conf-vars.py.
2020-03-11 Christian BlauAmend optional documentation
2020-03-04 Paul BauerMerge "Merge branch release-2020 into master"
2020-03-04 Paul BauerMerge branch release-2020 into master
2020-03-03 Paul BauerPrepare for 2020.2
2020-03-03 Paul BauerVersion 2020.1
2020-03-03 Paul BauerAlways hash files when building from release tarball
2020-03-02 Berk HessFix center of mass motion removal with frozen atoms
2020-03-02 Berk HessFix nrdf with partial COMM removal
2020-03-02 Berk HessFix too small pairlist buffer on Intel GPUs
2020-03-02 Paul BauerRevert "Remove frozen atoms from VCM groups"
2020-03-02 Paul BauerRemove frozen atoms from VCM groups
2020-02-28 Paul BauerMerge branch release-2019 into release-2020
2020-02-28 Paul BauerVersion 2019.6
2020-02-27 Pascal MerzUse legacy code path for t_graph (modular simulator)
2020-02-26 Szilárd PállAvoid mdrun terminate due to GPU sanity check errors
2020-02-26 Szilárd PállDocument NVIDIA OpenCL broken on Volta and Turing
2020-02-26 Szilárd PállRemove outdated PME-GPU limitation in user guide
2020-02-26 Pascal MerzFix calculation of reciprocal terms in rerun
2020-02-25 Magnus LundborgFix out of sync checkpoint files in simulations sharing...
2020-02-25 Paul BauerAvoid integer overflow in dispersion correction
2020-02-25 Christian BlauDocument density-fit cross-correlation in .mdp options
2020-02-24 M. Eric IrrgangFix sphinx-build option typo.
2020-02-22 David van der SpoelFixed bug in gmx disre due to inconsistency in input.
2020-02-21 Pascal MerzUse legacy code path for NMR restraints (modular simulator)
2020-02-21 Pascal MerzCorrect for skewed box in non-DD modular simulator
2020-02-21 Berk HessAdd fatal error when multisim runs sharing state have...
2020-02-21 Paul BauerFix Gitlab doc build
2020-02-20 David van der SpoelFixed bug in orires code that was checking too strict.
2020-02-20 David van der SpoelFixed bug in orires code that was checking too strict.
2020-02-17 M. Eric IrrgangEstablish stubs for documenting GitLab configuration.
2020-02-14 Pascal MerzFix reading of checkpoints with Parrinello-Rahman ...
2020-02-13 Pascal MerzFix checkNumberOfBondedInteractions bug
2020-02-06 Artem ZhmurovMove DeviceInfo into GPU traits
2020-02-05 Berk HessActually fix PME forces with FE without perturbed q/LJ
2020-02-04 Berk HessActually fix PME forces with FE without perturbed q/LJ
2020-02-03 Artem ZhmurovEnable GPU update for supported cases of FEP
2020-02-01 Artem ZhmurovMerge "Merge branch origin/release-2020 into master"
2020-01-28 Paul BauerMerge branch origin/release-2020 into master
2020-01-27 Mark AbrahamMake NbnxnGpu class with constructor
2020-01-24 Magnus LundborgRemoved SC RPower 48 from FEP kernel
2020-01-24 Szilárd PállFix deadlock in PP-PME balancing startup delay
2020-01-23 Magnus LundborgMinor cosmetic improvements in AWH
2020-01-23 Berk HessFix DD rank count prime check
2020-01-17 Paul BauerActually fix Gitlab doc build
2020-01-17 Paul BauerFix bad link in developer docs
2020-01-17 Berk HessAdd check for shells and GPU update
2020-01-16 Berk HessCorrect fixed redmine issue id from 3297 to 3296
2020-01-16 Mark AbrahamMake nbnxm headers more self-contained
2020-01-15 Berk HessFix multisim with parallel simulation
2020-01-10 Szilárd PállImprove mdrun performance user guide
2020-01-09 Mark AbrahamSplit lines with many copyright years
2020-01-08 Roland SchulzMerge release-2019 into release-2020
2020-01-07 Roland SchulzWorkaround for ICC 19u5 and 20initial
2020-01-07 Roland SchulzAdd support for ICC NextGen with MKL
2020-01-07 Paul BauerMerge branch origin/release-2020 into master
2020-01-07 Paul BauerMerge commit d30f2cb6 from release-2020 into master
2020-01-03 M. Eric IrrgangRemove transitional links for online gmxapi Python...
2020-01-02 M. Eric IrrgangUse `todo` Sphinx directive more.
2020-01-01 Paul BauerPrepare for 2020.1
2020-01-01 Paul BauerGROMACS 2020 release
2020-01-01 Paul BauerRevert "GROMACS 2020 release"
2020-01-01 Paul BauerGROMACS 2020 release
2019-12-31 Artem ZhmurovAdd description of GMX_FORCE_UPDATE_DEFAULT_GPU dev...
2019-12-30 M. Eric IrrgangAdd tracking for a documented action item.
2019-12-30 M. Eric IrrgangLink some "to do"s in the dev manual.
2019-12-28 Artem ZhmurovChange the behavior of the GPU update UI
2019-12-28 M. Eric IrrgangResolve CMake ambiguities for gmxapi Python package...
2019-12-28 Paul BauerChange releng to give information about Gitlab
2019-12-28 Paul BauerExtend information for GPU update
2019-12-28 Mark AbrahamMerge "Merge origin/release-2019 into release-2020...
2019-12-28 Paul BauerRemove membed from features
2019-12-28 Paul BauerDeprecate support for Armv7
2019-12-28 Mark AbrahamStop testing ARMv7
2019-12-27 Paul BauerMerge origin/release-2019 into release-2020
2019-12-27 M. Eric IrrgangUpdate intersphinx configuration.
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