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2017-05-29	Teemu Murtola	Avoid some incorrect behavior with gmx solvate	commit \| commitdiff \| tree
2017-05-29	Teemu Murtola	Remove pbcutil <-> mdtypes cyclic dependency	commit \| commitdiff \| tree
2017-05-11	Teemu Murtola	Generalize command-line test output file checking	commit \| commitdiff \| tree
2017-04-17	Teemu Murtola	Consistent approach for whole-program tests	commit \| commitdiff \| tree
2017-04-11	Teemu Murtola	Improve key-value tree gmx dump support	commit \| commitdiff \| tree
2017-04-06	Teemu Murtola	Fix memory access issues in gmx solvate	commit \| commitdiff \| tree
2017-04-06	Teemu Murtola	Consistent naming for gmxana tests	commit \| commitdiff \| tree
2017-04-04	Teemu Murtola	Utility functions for formatting string values	commit \| commitdiff \| tree
2017-03-13	Teemu Murtola	Improve option support & tests for key-value trees	commit \| commitdiff \| tree
2017-03-13	Teemu Murtola	Remove manual alignment from InMemorySerializer	commit \| commitdiff \| tree
2017-03-12	Teemu Murtola	Consistent TextWriter trailing whitespace handling	commit \| commitdiff \| tree
2017-03-11	Teemu Murtola	Update copyright year for gmx -version	commit \| commitdiff \| tree
2017-03-04	Teemu Murtola	Remove MDModules use from mdlib	commit \| commitdiff \| tree
2017-03-04	Teemu Murtola	Split md module facets to different interfaces	commit \| commitdiff \| tree
2017-02-28	Teemu Murtola	More documentation for key-value trees	commit \| commitdiff \| tree
2017-02-27	Teemu Murtola	Decouple t_inputrec from MDModules	commit \| commitdiff \| tree
2017-02-27	Teemu Murtola	Remove module references from t_inputrec	commit \| commitdiff \| tree
2017-02-10	Teemu Murtola	Check log output in thread affinity tests	commit \| commitdiff \| tree
2017-02-09	Teemu Murtola	Multi-rank thread affinity tests	commit \| commitdiff \| tree
2017-02-09	Teemu Murtola	Document key-value tree transforms and improve checks	commit \| commitdiff \| tree
2017-02-09	Teemu Murtola	Overview documentation for new mdp input scheme	commit \| commitdiff \| tree
2017-02-08	Teemu Murtola	Generic KeyValueTree broadcast	commit \| commitdiff \| tree
2017-02-08	Teemu Murtola	Generic gmx check implementation with KeyValueTree	commit \| commitdiff \| tree
2017-02-08	Teemu Murtola	Generic gmx dump implementation for KeyValueTree	commit \| commitdiff \| tree
2017-02-08	Teemu Murtola	Generic tpr handling for electric field	commit \| commitdiff \| tree
2016-12-12	Teemu Murtola	Merge branch release-2016	commit \| commitdiff \| tree
2016-12-10	Teemu Murtola	Minor CMake cleanup & modernization	commit \| commitdiff \| tree
2016-12-10	Teemu Murtola	Build scripts for improved release workflow	commit \| commitdiff \| tree
2016-12-08	Teemu Murtola	Fix and clean up handling of some linking	commit \| commitdiff \| tree
2016-12-08	Teemu Murtola	Fix possible memory error with long selections	commit \| commitdiff \| tree
2016-12-07	Teemu Murtola	Fix use of position variables with plus/merge	commit \| commitdiff \| tree
2016-11-29	Teemu Murtola	Additional selection help	commit \| commitdiff \| tree
2016-11-06	Teemu Murtola	Add selection-enabled gmx traj	commit \| commitdiff \| tree
2016-10-30	Teemu Murtola	Support normalizing values in KeyValueTree	commit \| commitdiff \| tree
2016-10-24	Teemu Murtola	Electric field mdp parsing using options	commit \| commitdiff \| tree
2016-10-24	Teemu Murtola	Support for default values from Options to KeyValueTree	commit \| commitdiff \| tree
2016-10-21	Teemu Murtola	Clean up option (default) value access	commit \| commitdiff \| tree
2016-10-19	Teemu Murtola	Serialization support for KeyValueTree	commit \| commitdiff \| tree
2016-10-17	Teemu Murtola	Support option assignment from different precision	commit \| commitdiff \| tree
2016-10-17	Teemu Murtola	Add support for reading values from refdata	commit \| commitdiff \| tree
2016-10-16	Teemu Murtola	Improved error handling for KeyValueTree operations	commit \| commitdiff \| tree
2016-10-15	Teemu Murtola	Improved address sanitizer support	commit \| commitdiff \| tree
2016-10-15	Teemu Murtola	Work around memory leak in t_state	commit \| commitdiff \| tree
2016-10-15	Teemu Murtola	Fix most memory leaks recently introduced	commit \| commitdiff \| tree
2016-10-14	Teemu Murtola	Use gmx_mtop_t in selections, part 3	commit \| commitdiff \| tree
2016-10-14	Teemu Murtola	Use gmx_mtop_t in selections, part 2	commit \| commitdiff \| tree
2016-10-13	Teemu Murtola	Use gmx_mtop_t in selections, part 2	commit \| commitdiff \| tree
2016-10-13	Teemu Murtola	Add back-mapping to KeyValueTreeTransform	commit \| commitdiff \| tree
2016-10-13	Teemu Murtola	Update bundled TNG	commit \| commitdiff \| tree
2016-10-13	Teemu Murtola	Getter for mapped paths from KeyValueTreeTransform	commit \| commitdiff \| tree
2016-10-12	Teemu Murtola	Use gmx_mtop_t in selections, part 1	commit \| commitdiff \| tree
2016-10-12	Teemu Murtola	Wrap sel. method evaluation parameters to struct	commit \| commitdiff \| tree
2016-10-11	Teemu Murtola	Support concurrent t_topology and gmx_mtop_t use	commit \| commitdiff \| tree
2016-10-11	Teemu Murtola	Check atom mass availability in selections	commit \| commitdiff \| tree
2016-10-05	Teemu Murtola	Support different key matching in KeyValueTreeTransform	commit \| commitdiff \| tree
2016-10-05	Teemu Murtola	Merge "Merge branch release-5-1 into release-2016"...	commit \| commitdiff \| tree
2016-09-24	Teemu Murtola	Fix default nice level in mdrun-only build	commit \| commitdiff \| tree
2016-09-12	Teemu Murtola	Fix various memory leaks	commit \| commitdiff \| tree
2016-09-07	Teemu Murtola	Clean up CTest test management	commit \| commitdiff \| tree
2016-08-30	Teemu Murtola	Basic support for transforming KeyValueTrees	commit \| commitdiff \| tree
2016-08-27	Teemu Murtola	Support KeyValueTree objects in refdata	commit \| commitdiff \| tree
2016-08-18	Teemu Murtola	Check for unused refdata values	commit \| commitdiff \| tree
2016-08-18	Teemu Murtola	Generic structured key-value tree for options	commit \| commitdiff \| tree
2016-08-18	Teemu Murtola	Support for non-string option value assignment	commit \| commitdiff \| tree
2016-08-17	Teemu Murtola	Basic support for array-of-structs in options	commit \| commitdiff \| tree
2016-08-17	Teemu Murtola	Generalize and simplify option value storage	commit \| commitdiff \| tree
2016-08-17	Teemu Murtola	Generalize option section internals	commit \| commitdiff \| tree
2016-08-17	Teemu Murtola	Reimplement subsections in Options	commit \| commitdiff \| tree
2016-08-04	Teemu Murtola	Fix/improve doc links in template/README	commit \| commitdiff \| tree
2016-08-01	Teemu Murtola	Function to split delimited strings	commit \| commitdiff \| tree
2016-07-14	Teemu Murtola	Use newer gcc for coverage	commit \| commitdiff \| tree
2016-07-07	Teemu Murtola	Change handling for missing releng docs	commit \| commitdiff \| tree
2016-06-30	Teemu Murtola	Extract string parsing routines to utility	commit \| commitdiff \| tree
2016-06-28	Teemu Murtola	Split up compare.*	commit \| commitdiff \| tree
2016-06-27	Teemu Murtola	Factory for creating t_inputrec	commit \| commitdiff \| tree
2016-06-01	Teemu Murtola	Use C++ replacement for md_logging.*	commit \| commitdiff \| tree
2016-06-01	Teemu Murtola	Basic C++ logging interface	commit \| commitdiff \| tree
2016-05-31	Teemu Murtola	Improve make_ndx help text	commit \| commitdiff \| tree
2016-05-25	Teemu Murtola	Support for real MPI unit tests	commit \| commitdiff \| tree
2016-05-24	Teemu Murtola	Tests for single-rank thread affinity setting	commit \| commitdiff \| tree
2016-05-21	Teemu Murtola	Pass number of local threads to thread affinity	commit \| commitdiff \| tree
2016-05-21	Teemu Murtola	Allow creating mock HardwareTopology objects	commit \| commitdiff \| tree
2016-05-21	Teemu Murtola	Use only HardwareTopology for thread affinity	commit \| commitdiff \| tree
2016-05-21	Teemu Murtola	Merge branch release-2016	commit \| commitdiff \| tree
2016-05-21	Teemu Murtola	Bump version numbers for 2017 development	commit \| commitdiff \| tree
2016-05-17	Teemu Murtola	Fix some thread affinity cases	commit \| commitdiff \| tree
2016-05-10	Teemu Murtola	Additional Jenkins documentation	commit \| commitdiff \| tree
2016-05-10	Teemu Murtola	Include releng documentation to developer guide	commit \| commitdiff \| tree
2016-05-08	Teemu Murtola	Support for OpenCL CI builds	commit \| commitdiff \| tree
2016-05-05	Teemu Murtola	Merge branch release-5-1	commit \| commitdiff \| tree
2016-05-05	Teemu Murtola	Make Sphinx build silent for version 1.3+	commit \| commitdiff \| tree
2016-05-03	Teemu Murtola	Mark optional input/output files in gmx order	commit \| commitdiff \| tree
2016-04-28	Teemu Murtola	Use HardwareTopology to set nthreads_hw_avail	commit \| commitdiff \| tree
2016-04-28	Teemu Murtola	Remove gmx_hw_info_t::ncore	commit \| commitdiff \| tree
2016-04-27	Teemu Murtola	Improve release workflow testing	commit \| commitdiff \| tree
2016-04-27	Teemu Murtola	Disable multiple ranks for non-MPI unit tests	commit \| commitdiff \| tree
2016-04-27	Teemu Murtola	Fix issues with failing thread affinity setting	commit \| commitdiff \| tree
2016-04-27	Teemu Murtola	Merge "Merge branch release-5-1"	commit \| commitdiff \| tree
2016-04-18	Teemu Murtola	Make thread affinity failures always end up in log	commit \| commitdiff \| tree
2016-03-30	Teemu Murtola	Make includesorter.py work with Doxygen 1.8.10+	commit \| commitdiff \| tree
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