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Permit tests to specify the refdata filename
2019-11-04
Teemu Murtola
Update clang-format config
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2019-01-29
Teemu Murtola
Avoid warnings with Apple Clang
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2019-01-13
Teemu Murtola
Use label to select doxygen version
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2018-12-24
Teemu Murtola
Use label to select doxygen version
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2017-09-04
Teemu Murtola
Introduce self-pairs search in nbsearch
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2017-09-04
Teemu Murtola
Refactor analysis nbsearch tests
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2017-08-21
Teemu Murtola
Simple union-find structure
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2017-07-19
Teemu Murtola
Prune unnecessary cells in analysis nbsearch
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2017-07-17
Teemu Murtola
Fix hwloc detection
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2017-07-11
Teemu Murtola
Support scoped key-value tree transform rules
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2017-07-06
Teemu Murtola
Detect unknown mdp options in gmx dump/check
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2017-06-30
Teemu Murtola
Fix boolean serialization
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2017-06-30
Teemu Murtola
Extend key-value tree comparison and tests
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2017-06-29
Teemu Murtola
Generalize IForceProvider
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2017-06-28
Teemu Murtola
Extend key-value tree serialization and tests
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2017-06-27
Teemu Murtola
Do not use conf-man.py for non-manpage doc builds
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2017-05-29
Teemu Murtola
Avoid some incorrect behavior with gmx solvate
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2017-05-29
Teemu Murtola
Remove pbcutil <-> mdtypes cyclic dependency
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2017-05-11
Teemu Murtola
Generalize command-line test output file checking
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2017-04-17
Teemu Murtola
Consistent approach for whole-program tests
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2017-04-11
Teemu Murtola
Improve key-value tree gmx dump support
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2017-04-06
Teemu Murtola
Fix memory access issues in gmx solvate
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2017-04-06
Teemu Murtola
Consistent naming for gmxana tests
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2017-04-04
Teemu Murtola
Utility functions for formatting string values
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2017-03-13
Teemu Murtola
Improve option support & tests for key-value trees
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2017-03-13
Teemu Murtola
Remove manual alignment from InMemorySerializer
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2017-03-12
Teemu Murtola
Consistent TextWriter trailing whitespace handling
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2017-03-11
Teemu Murtola
Update copyright year for gmx -version
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2017-03-04
Teemu Murtola
Remove MDModules use from mdlib
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2017-03-04
Teemu Murtola
Split md module facets to different interfaces
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2017-02-28
Teemu Murtola
More documentation for key-value trees
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2017-02-27
Teemu Murtola
Decouple t_inputrec from MDModules
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2017-02-27
Teemu Murtola
Remove module references from t_inputrec
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2017-02-10
Teemu Murtola
Check log output in thread affinity tests
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2017-02-09
Teemu Murtola
Multi-rank thread affinity tests
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2017-02-09
Teemu Murtola
Document key-value tree transforms and improve checks
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2017-02-09
Teemu Murtola
Overview documentation for new mdp input scheme
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2017-02-08
Teemu Murtola
Generic KeyValueTree broadcast
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2017-02-08
Teemu Murtola
Generic gmx check implementation with KeyValueTree
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2017-02-08
Teemu Murtola
Generic gmx dump implementation for KeyValueTree
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2017-02-08
Teemu Murtola
Generic tpr handling for electric field
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2016-12-12
Teemu Murtola
Merge branch release-2016
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2016-12-10
Teemu Murtola
Minor CMake cleanup & modernization
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2016-12-10
Teemu Murtola
Build scripts for improved release workflow
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2016-12-08
Teemu Murtola
Fix and clean up handling of some linking
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2016-12-08
Teemu Murtola
Fix possible memory error with long selections
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2016-12-07
Teemu Murtola
Fix use of position variables with plus/merge
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2016-11-29
Teemu Murtola
Additional selection help
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2016-11-06
Teemu Murtola
Add selection-enabled gmx traj
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2016-10-30
Teemu Murtola
Support normalizing values in KeyValueTree
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2016-10-24
Teemu Murtola
Electric field mdp parsing using options
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2016-10-24
Teemu Murtola
Support for default values from Options to KeyValueTree
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2016-10-21
Teemu Murtola
Clean up option (default) value access
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2016-10-19
Teemu Murtola
Serialization support for KeyValueTree
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2016-10-17
Teemu Murtola
Support option assignment from different precision
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2016-10-17
Teemu Murtola
Add support for reading values from refdata
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2016-10-16
Teemu Murtola
Improved error handling for KeyValueTree operations
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2016-10-15
Teemu Murtola
Improved address sanitizer support
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2016-10-15
Teemu Murtola
Work around memory leak in t_state
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2016-10-15
Teemu Murtola
Fix most memory leaks recently introduced
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2016-10-14
Teemu Murtola
Use gmx_mtop_t in selections, part 3
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2016-10-14
Teemu Murtola
Use gmx_mtop_t in selections, part 2
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2016-10-13
Teemu Murtola
Use gmx_mtop_t in selections, part 2
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2016-10-13
Teemu Murtola
Add back-mapping to KeyValueTreeTransform
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2016-10-13
Teemu Murtola
Update bundled TNG
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2016-10-13
Teemu Murtola
Getter for mapped paths from KeyValueTreeTransform
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2016-10-12
Teemu Murtola
Use gmx_mtop_t in selections, part 1
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2016-10-12
Teemu Murtola
Wrap sel. method evaluation parameters to struct
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2016-10-11
Teemu Murtola
Support concurrent t_topology and gmx_mtop_t use
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2016-10-11
Teemu Murtola
Check atom mass availability in selections
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2016-10-05
Teemu Murtola
Support different key matching in KeyValueTreeTransform
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2016-10-05
Teemu Murtola
Merge "Merge branch release-5-1 into release-2016"...
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2016-09-24
Teemu Murtola
Fix default nice level in mdrun-only build
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2016-09-12
Teemu Murtola
Fix various memory leaks
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2016-09-07
Teemu Murtola
Clean up CTest test management
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2016-08-30
Teemu Murtola
Basic support for transforming KeyValueTrees
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2016-08-27
Teemu Murtola
Support KeyValueTree objects in refdata
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2016-08-18
Teemu Murtola
Check for unused refdata values
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2016-08-18
Teemu Murtola
Generic structured key-value tree for options
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2016-08-18
Teemu Murtola
Support for non-string option value assignment
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2016-08-17
Teemu Murtola
Basic support for array-of-structs in options
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2016-08-17
Teemu Murtola
Generalize and simplify option value storage
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2016-08-17
Teemu Murtola
Generalize option section internals
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2016-08-17
Teemu Murtola
Reimplement subsections in Options
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2016-08-04
Teemu Murtola
Fix/improve doc links in template/README
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2016-08-01
Teemu Murtola
Function to split delimited strings
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2016-07-14
Teemu Murtola
Use newer gcc for coverage
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2016-07-07
Teemu Murtola
Change handling for missing releng docs
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2016-06-30
Teemu Murtola
Extract string parsing routines to utility
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2016-06-28
Teemu Murtola
Split up compare.*
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2016-06-27
Teemu Murtola
Factory for creating t_inputrec
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2016-06-01
Teemu Murtola
Use C++ replacement for md_logging.*
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2016-06-01
Teemu Murtola
Basic C++ logging interface
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2016-05-31
Teemu Murtola
Improve make_ndx help text
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2016-05-25
Teemu Murtola
Support for real MPI unit tests
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2016-05-24
Teemu Murtola
Tests for single-rank thread affinity setting
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2016-05-21
Teemu Murtola
Pass number of local threads to thread affinity
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2016-05-21
Teemu Murtola
Allow creating mock HardwareTopology objects
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2016-05-21
Teemu Murtola
Use only HardwareTopology for thread affinity
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2016-05-21
Teemu Murtola
Merge branch release-2016
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