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2020-03-23	M. Eric Irrgang	Extract logic for when CI jobs execute.	commit \| commitdiff \| tree
2020-03-19	M. Eric Irrgang	Remove confusing and duplicated variables assignment.	commit \| commitdiff \| tree
2020-03-19	M. Eric Irrgang	Consolidate global mix-ins.	commit \| commitdiff \| tree
2020-03-19	M. Eric Irrgang	[ci skip] Remove indirection for default tags parameter.	commit \| commitdiff \| tree
2020-03-19	M. Eric Irrgang	[ci skip] Reorganize .gitlab-ci.yml	commit \| commitdiff \| tree
2020-03-18	M. Eric Irrgang	Document CI variable and remove unused template.	commit \| commitdiff \| tree
2020-03-18	M. Eric Irrgang	Disable sphinx.ext.viewcode	commit \| commitdiff \| tree
2020-03-17	M. Eric Irrgang	Remove duplicated YAML key.	commit \| commitdiff \| tree
2020-03-15	M. Eric Irrgang	Merge conf.py and conf-vars.py.	commit \| commitdiff \| tree
2020-03-09	Paul Bauer	Fix wrong Docker images in doc builds	commit \| commitdiff \| tree
2020-03-09	M. Eric Irrgang	Remove duplicated GitLab-CI jobs.	commit \| commitdiff \| tree
2020-03-09	M. Eric Irrgang	Reformat .gitlab-ci.yml	commit \| commitdiff \| tree
2020-03-07	M. Eric Irrgang	Manage the list of image tags in Docker build script.	commit \| commitdiff \| tree
2020-03-06	Paul Bauer	Fix Gitlab build issues	commit \| commitdiff \| tree
2020-02-27	M. Eric Irrgang	Resolve a Python linting error.	commit \| commitdiff \| tree
2020-02-27	M. Eric Irrgang	Fix broken Python error check.	commit \| commitdiff \| tree
2020-02-25	M. Eric Irrgang	Remove cruft and resolve deprecation warnings.	commit \| commitdiff \| tree
2020-02-24	M. Eric Irrgang	Fix docstring bugs.	commit \| commitdiff \| tree
2020-02-24	M. Eric Irrgang	Fix sphinx-build option typo.	commit \| commitdiff \| tree
2020-02-24	M. Eric Irrgang	Let commandline_operation accept stdin.	commit \| commitdiff \| tree
2020-02-24	M. Eric Irrgang	Clarify annotation about GitLab CI Docker images.	commit \| commitdiff \| tree
2020-02-21	Paul Bauer	Fix Gitlab doc build	commit \| commitdiff \| tree
2020-02-17	M. Eric Irrgang	Establish stubs for documenting GitLab configuration.	commit \| commitdiff \| tree
2020-02-15	M. Eric Irrgang	Reformat .gitlab-ci.yml	commit \| commitdiff \| tree
2020-01-15	Paul Bauer	Update nonstd::optional	commit \| commitdiff \| tree
2020-01-15	Paul Bauer	Allow access to optional outside libgromacs	commit \| commitdiff \| tree
2020-01-09	M. Eric Irrgang	Use enum for gmxapi.testsupport fixture options.	commit \| commitdiff \| tree
2020-01-09	M. Eric Irrgang	Further consolidate gmxapi.testsupport.	commit \| commitdiff \| tree
2020-01-09	M. Eric Irrgang	Update gmxapi Python package version and versioning...	commit \| commitdiff \| tree
2020-01-07	M. Eric Irrgang	Remove stray "to do".	commit \| commitdiff \| tree
2020-01-02	M. Eric Irrgang	Add Flake8 linting to gmxapi tests.	commit \| commitdiff \| tree
2020-01-02	M. Eric Irrgang	Use `todo` Sphinx directive more.	commit \| commitdiff \| tree
2019-12-30	M. Eric Irrgang	Add tracking for a documented action item.	commit \| commitdiff \| tree
2019-12-30	M. Eric Irrgang	Link some "to do"s in the dev manual.	commit \| commitdiff \| tree
2019-12-30	M. Eric Irrgang	Make gmxapi.testsupport usable as a pytest plugin.	commit \| commitdiff \| tree
2019-12-27	M. Eric Irrgang	Update intersphinx configuration.	commit \| commitdiff \| tree
2019-12-26	M. Eric Irrgang	Let GMX_DEVELOPER_BUILD trigger a "to do" list in the...	commit \| commitdiff \| tree
2019-12-26	M. Eric Irrgang	Set Sphinx default role.	commit \| commitdiff \| tree
2019-12-26	M. Eric Irrgang	Fix external web link.	commit \| commitdiff \| tree
2019-12-26	M. Eric Irrgang	Enable Sphinx todo directive for GMX_DEVELOPER_BUILD.	commit \| commitdiff \| tree
2019-12-26	M. Eric Irrgang	Clean up Sphinx interpreted text in the default role.	commit \| commitdiff \| tree
2019-12-19	M. Eric Irrgang	Add issue tracking for deprecations.	commit \| commitdiff \| tree
2019-12-18	M. Eric Irrgang	Update reference to uncrustify and clang-format.	commit \| commitdiff \| tree
2019-12-17	M. Eric Irrgang	Be more specific with clang-format suggestions.	commit \| commitdiff \| tree
2019-12-11	M. Eric Irrgang	gmxapi documentation readability improvements.	commit \| commitdiff \| tree
2019-12-11	M. Eric Irrgang	gmxapi documentation formatting improvements.	commit \| commitdiff \| tree
2019-12-10	Mark Abraham	Simplify gmxapi RPATH handling	commit \| commitdiff \| tree
2019-11-08	M. Eric Irrgang	Fix bug introduced by clang-format reformat.	commit \| commitdiff \| tree
2019-11-05	M. Eric Irrgang	Update googletest location in COPYING.	commit \| commitdiff \| tree
2019-11-01	M. Eric Irrgang	Fix documentation typo.	commit \| commitdiff \| tree
2019-10-31	M. Eric Irrgang	Deduplicate gmxapi documentation.	commit \| commitdiff \| tree
2019-10-25	M. Eric Irrgang	Improve gmxapi mdrun test.	commit \| commitdiff \| tree
2019-10-16	M. Eric Irrgang	Minor tidying to mdrun.py	commit \| commitdiff \| tree
2019-10-16	M. Eric Irrgang	Minor clean-up to gmxapi package.	commit \| commitdiff \| tree
2019-10-16	M. Eric Irrgang	Update gmxapi.version module.	commit \| commitdiff \| tree
2019-10-15	M. Eric Irrgang	Fix logic error in StaticSourceManager intialization.	commit \| commitdiff \| tree
2019-10-15	M. Eric Irrgang	Add note about libpython requirement to gmxapi install...	commit \| commitdiff \| tree
2019-10-13	M. Eric Irrgang	Update sample_restraint documentation entry points.	commit \| commitdiff \| tree
2019-10-13	M. Eric Irrgang	Test float and int gmxapi parameter updates.	commit \| commitdiff \| tree
2019-10-13	M. Eric Irrgang	Usability updates for gmxapi/docs Docker image.	commit \| commitdiff \| tree
2019-10-12	M. Eric Irrgang	Improve parameter typing for gmxapi simulation parameter...	commit \| commitdiff \| tree
2019-10-08	M. Eric Irrgang	Update handling of CMake policy 68..	commit \| commitdiff \| tree
2019-10-07	M. Eric Irrgang	Update rpath comments in src/api/cpp	commit \| commitdiff \| tree
2019-09-11	Paul Bauer	Add missing gmxapi requirements	commit \| commitdiff \| tree
2019-09-11	M. Eric Irrgang	Allow gmxapi.mdrun to properly dispatch simulation...	commit \| commitdiff \| tree
2019-09-10	M. Eric Irrgang	Fix parameter key look-up in gmxapi TPR reader.	commit \| commitdiff \| tree
2019-09-10	M. Eric Irrgang	Make gmxcli pytest fixture more robust.	commit \| commitdiff \| tree
2019-08-27	M. Eric Irrgang	Add sample_restraint Python tests to `check` target.	commit \| commitdiff \| tree
2019-08-27	M. Eric Irrgang	Remove unused forward declarations.	commit \| commitdiff \| tree
2019-08-26	M. Eric Irrgang	Rearrange exposure of gmxapicompat simulation input...	commit \| commitdiff \| tree
2019-08-19	M. Eric Irrgang	Clean up gmxapi documentation build.	commit \| commitdiff \| tree
2019-08-19	M. Eric Irrgang	Add subgraph and while_loop operations.	commit \| commitdiff \| tree
2019-08-14	M. Eric Irrgang	Fix logic error in python_packaging/src/CMakeLists.txt	commit \| commitdiff \| tree
2019-08-14	M. Eric Irrgang	Minor optimization to `pip install` in gmxapi CI build.	commit \| commitdiff \| tree
2019-08-13	M. Eric Irrgang	Improve sample_restraint project integration.	commit \| commitdiff \| tree
2019-08-13	M. Eric Irrgang	Don't install googletest.	commit \| commitdiff \| tree
2019-08-13	M. Eric Irrgang	Map gmxapi C++ exceptions to Python exceptions.	commit \| commitdiff \| tree
2019-08-08	M. Eric Irrgang	Let base GROMACS docker image be a little more useful.	commit \| commitdiff \| tree
2019-08-06	M. Eric Irrgang	Separate out OperationDetailsBase.	commit \| commitdiff \| tree
2019-08-05	M. Eric Irrgang	Separate out OperationDirector.	commit \| commitdiff \| tree
2019-08-02	M. Eric Irrgang	Rearchitect gmxapi.operation	commit \| commitdiff \| tree
2019-07-29	Berk Hess	Remove LJ Ewald correction tables	commit \| commitdiff \| tree
2019-07-29	Berk Hess	Add initialization to t_nrnb	commit \| commitdiff \| tree
2019-07-24	M. Eric Irrgang	Remove one of the examples from sample_restraint.	commit \| commitdiff \| tree
2019-07-02	M. Eric Irrgang	Python detection consolidation.	commit \| commitdiff \| tree
2019-07-02	M. Eric Irrgang	Rearrange some definitions.	commit \| commitdiff \| tree
2019-06-28	Christian Blau	Add copy and move operations to density similarity	commit \| commitdiff \| tree
2019-06-27	M. Eric Irrgang	Add helpful note about gmxpai docker notebook server.	commit \| commitdiff \| tree
2019-06-19	M. Eric Irrgang	Updates to gmxapi docker entry points.	commit \| commitdiff \| tree
2019-05-24	Paul Bauer	Fix PQR formatting	commit \| commitdiff \| tree
2019-05-16	M. Eric Irrgang	Fix typos regarding GMX_PHYSICAL_VALIDATION CMake variable.	commit \| commitdiff \| tree
2019-04-10	M. Eric Irrgang	Add GROMACS library dependency to gmxapi package.	commit \| commitdiff \| tree
2019-04-09	M. Eric Irrgang	Introduce gmxapi operations and basic data model.	commit \| commitdiff \| tree
2019-04-08	M. Eric Irrgang	Remove stale "TODO".	commit \| commitdiff \| tree
2018-12-19	M. Eric Irrgang	Restrict number of OpenMP threads during testing.	commit \| commitdiff \| tree
2018-11-19	Joe Jordan	fix unused variable warning from gmxapi compilation	commit \| commitdiff \| tree
2018-11-16	M. Eric Irrgang	Convert unhelpful assertion to better documentation.	commit \| commitdiff \| tree
2018-11-16	M. Eric Irrgang	Remove extraneous CMake config.	commit \| commitdiff \| tree
2018-11-01	M. Eric Irrgang	Add missing blame for restraint module files.	commit \| commitdiff \| tree
2018-10-15	M. Eric Irrgang	Release notes for restraint module and gmxapi.	commit \| commitdiff \| tree
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