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cmdlinerunner.cpp: use ICommandLineOptionsModule
2015-01-06
Teemu Murtola
Use analysis nbsearch for surface area calculation
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2015-01-06
Teemu Murtola
Use xvgrclose() for files opened with xvgropen()
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2015-01-05
Teemu Murtola
Support subset of rvec array as input for analysis...
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2015-01-05
Teemu Murtola
Minimal C++ replacement for rvec
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2015-01-05
Teemu Murtola
Clarify GMX_MPI management
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2015-01-03
Teemu Murtola
Minor selection clarifications
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2015-01-03
Teemu Murtola
Fix crash with 'z of ...' within an expression
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2015-01-02
Teemu Murtola
Update copyright year in copyrite.cpp
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2014-12-28
Teemu Murtola
Convert gmx-insert-molecules into proper C++ module
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2014-12-28
Teemu Murtola
Add helper for generic C++ command-line modules
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2014-12-18
Teemu Murtola
Rework gmx-solvate to use analysis nbsearch
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2014-12-17
Teemu Murtola
Make 'gmx sasa' calculation thread-safe
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2014-12-17
Teemu Murtola
Remove some backwards-compatibility glue for Jenkins
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2014-12-16
Teemu Murtola
Make 'gmx sasa' volume computation translation-invariant
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2014-12-15
Teemu Murtola
Use new XML format with cppcheck
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2014-12-14
Teemu Murtola
C++ interface for surface area calculation
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2014-12-11
Teemu Murtola
Convert gmx rdf to the C++ framework
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2014-12-10
Teemu Murtola
Fix misc. analysis neighborhood search issues
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2014-12-09
Teemu Murtola
Track locations for selection parsing products
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2014-12-08
Teemu Murtola
Rectangular grid for analysis nbsearch
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2014-12-06
Teemu Murtola
Simplify analysisdata parallelism model
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2014-12-05
Teemu Murtola
Improve selection parsing error reporting
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2014-12-05
Teemu Murtola
Non-periodic nbsearch with grid based on bounding box
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2014-12-04
Teemu Murtola
Move/add uncrustify documentation to dev manual
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2014-12-02
Teemu Murtola
Add 'gmx pairdist' tool as partial g_mindist replacement
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2014-12-02
Teemu Murtola
Analysis grid nbsearch for more cases
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2014-11-29
Teemu Murtola
Basic support for 'z of ...' selections
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2014-11-28
Teemu Murtola
Clarify memory management for selection values
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2014-11-28
Teemu Murtola
Helper function for grouping selection positions
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2014-11-27
Teemu Murtola
Clean up gmx solvate
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2014-11-27
Teemu Murtola
Port gmx-solvate tests to use CommandLineTestBase
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2014-11-27
Teemu Murtola
More control over file backups
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2014-11-27
Teemu Murtola
Further insert-molecules cleanup
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2014-11-26
Teemu Murtola
Convert surface area calculation to C++
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2014-11-26
Teemu Murtola
Add some unit tests for surface area calculation
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2014-11-23
Teemu Murtola
Rename doc-* targets to be less generic
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2014-11-21
Teemu Murtola
Describe doc-check in developer manual
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2014-11-21
Teemu Murtola
Skeleton for a developer manual
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2014-11-14
Teemu Murtola
Refactor position-evaluated selection keyword handling
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2014-10-30
Teemu Murtola
Add more selection unit tests
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2014-10-30
Teemu Murtola
Fix more memory leaks in default group creation
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2014-10-30
Teemu Murtola
Fix memory leak in default index group creation
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2014-10-29
Teemu Murtola
Merge release-5-0 into master
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2014-10-29
Teemu Murtola
Improve analysis nbsearch grid mapping
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2014-10-28
Teemu Murtola
Avoid common.h inclusion in CUDA code
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2014-10-23
Teemu Murtola
Move truncate() wrapper to futil.h
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2014-10-23
Teemu Murtola
Encapsulate use of nice()
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2014-10-22
Teemu Murtola
Collect more platform-specific code to sysinfo.h
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2014-10-22
Teemu Murtola
Rename common.h to classhelpers.h
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2014-10-22
Teemu Murtola
Move basic macros from common.h to basedefinitions.h
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2014-10-14
Teemu Murtola
Check config.h usage in doc-check
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2014-10-14
Teemu Murtola
Use analysis nbsearch in insert-molecules
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2014-10-11
Teemu Murtola
Clean up gmx insert-molecules
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2014-10-11
Teemu Murtola
Make 'gmx insert-molecules' tests test output
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2014-10-11
Teemu Murtola
Generalize command-line unit testing machinery
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2014-10-03
Teemu Murtola
More robust handling for installed headers
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2014-09-23
Teemu Murtola
Reorganize CPack management
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2014-09-23
Teemu Murtola
Generate man pages and completions by default if possible
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2014-09-22
Teemu Murtola
Merge "Merge release-5-0 into master"
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2014-09-21
Teemu Murtola
Introduce a variable to identify in-source build
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2014-09-21
Teemu Murtola
Skip man/html/completion generation if not needed
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2014-09-20
Teemu Murtola
Remove duplication in version info target creation
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2014-09-20
Teemu Murtola
Fix patterns for .gitattributes
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2014-09-19
Teemu Murtola
Proper dependencies for Doxygen build rules
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2014-09-19
Teemu Murtola
Fix histogram resampling output bin positions
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2014-09-19
Teemu Murtola
Embed module dependency graph in Doxygen docs
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2014-09-19
Teemu Murtola
Add support for cumulative histograms
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2014-09-19
Teemu Murtola
More precise analysisdata histogram accumulation
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2014-09-19
Teemu Murtola
Misc. Doxygen build system improvements
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2014-09-13
Teemu Murtola
Extend support for float/double tolerances in testing
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2014-09-13
Teemu Murtola
Declare __STDC_*_MACROS in gmxpre.h
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2014-09-12
Teemu Murtola
Run include order check in doc-check
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2014-09-11
Teemu Murtola
Improve uncrustify.sh return code handling
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2014-09-11
Teemu Murtola
Include directive sorter
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2014-09-11
Teemu Murtola
Add gmx_getpid()
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2014-09-11
Teemu Murtola
Move _GNU_SOURCE to gmxpre.h
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2014-09-11
Teemu Murtola
Sort includes outside src/gromacs
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2014-09-11
Teemu Murtola
Sort all includes in src/gromacs
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2014-09-11
Teemu Murtola
Use absolute include paths in nbnxn kernels
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2014-09-11
Teemu Murtola
Manually sort some includes in src/gromacs
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2014-09-08
Teemu Murtola
Support custom default extension for FileNameOption
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2014-09-08
Teemu Murtola
Remove unnecessary extensions in t_filenm defaults
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2014-09-07
Teemu Murtola
More consistent default handling for StringOption
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2014-09-07
Teemu Murtola
Update template/README
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2014-09-05
Teemu Murtola
Remove unnecessary config.h includes
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2014-09-05
Teemu Murtola
Move some defines to gmxpre.h for thread-MPI
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2014-09-05
Teemu Murtola
Another batch of added config.h
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2014-09-05
Teemu Murtola
Make doc-check fail the build on warnings
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2014-09-05
Teemu Murtola
Merge "Merge release-5-0 into master"
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2014-09-04
Teemu Murtola
Include config.h directly if used
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2014-09-04
Teemu Murtola
Make doc-check silent for in-source build
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2014-09-04
Teemu Murtola
Merge "Merge release-5-0 into master"
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2014-08-24
Teemu Murtola
Precalculate pbc shift for analysis nbsearch
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2014-08-24
Teemu Murtola
Improve analysis nbsearch grid mapping
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2014-08-23
Teemu Murtola
Backport of 'Remove unused figures from share/html/'
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2014-08-22
Teemu Murtola
Move -nice handling to CommandLineModuleManager
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2014-08-20
Teemu Murtola
Misc. gmxpre.h-related changes
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2014-08-20
Teemu Murtola
Merge release-5-0 into master
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2014-08-20
Teemu Murtola
Remove unused config.h defines
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2014-08-19
Teemu Murtola
Introduce gmxpre.h for truly global definitions
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