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2016-10-29	Berk Hess	Add gmx dump option for printing parameters	commit \| commitdiff \| tree
2016-10-21	Teemu Murtola	Clean up option (default) value access	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	David van der Spoel	Fixes some memory leaks associated with testing applied...	commit \| commitdiff \| tree
2016-10-11	Teemu Murtola	Support concurrent t_topology and gmx_mtop_t use	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
2016-09-16	Berk Hess	Fixed unused variables in domdec.cpp	commit \| commitdiff \| tree
2016-09-07	Teemu Murtola	Clean up CTest test management	commit \| commitdiff \| tree
2016-08-05	Erik Lindahl	Fix proper relative tolerance checking in testutils	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
2016-07-01	Mark Abraham	Fix use of _POSIX_THREAD*	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
2016-06-04	Erik Lindahl	Check number of items read in mdp statements	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
2016-05-24	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
2016-05-08	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
2016-05-05	Szilárd Páll	Remove CUDA host compiler consistency checks	commit \| commitdiff \| tree
2016-05-05	Erik Lindahl	Fix SIMD detection on AMD AVX CPUs w/o fma (master)	commit \| commitdiff \| tree
2016-05-05	Erik Lindahl	Avoid allocating heap memory for tabulated distribution	commit \| commitdiff \| tree
2016-05-03	Teemu Murtola	Mark optional input/output files in gmx order	commit \| commitdiff \| tree
2016-04-27	Teemu Murtola	Merge "Merge branch release-5-1"	commit \| commitdiff \| tree
2016-04-26	Roland Schulz	Fix numerically unstable Gaussian test	commit \| commitdiff \| tree
2016-04-15	Roland Schulz	Remove idioms deprecated in C++11	commit \| commitdiff \| tree
2016-03-31	Mark Abraham	Add test and improved docs for custom checkSequence	commit \| commitdiff \| tree
2016-03-28	Teemu Murtola	More support for release workflow	commit \| commitdiff \| tree
2016-03-26	Teemu Murtola	Ignore empty GMXLIB	commit \| commitdiff \| tree
2016-03-17	Szilárd Páll	Fixed OpenCL e/fshift clear kernel first invocation	commit \| commitdiff \| tree
2016-03-14	Teemu Murtola	Add tests for empty strings in refdata	commit \| commitdiff \| tree
2016-03-13	Teemu Murtola	Support replacing solvent in insert-molecules	commit \| commitdiff \| tree
2016-01-12	Teemu Murtola	Move flags out of t_trxframe	commit \| commitdiff \| tree
2016-01-12	Teemu Murtola	Remove historical times from t_trxframe	commit \| commitdiff \| tree
2016-01-10	Teemu Murtola	Support trajectory analysis with any atom subset	commit \| commitdiff \| tree
2016-01-10	Teemu Murtola	Support frames with atom subsets in selections	commit \| commitdiff \| tree
2016-01-10	Teemu Murtola	Do not warn about missing OpenMP with GMX_GPU=OFF	commit \| commitdiff \| tree
2015-12-31	Teemu Murtola	Report used defines in check-source	commit \| commitdiff \| tree
2015-12-17	Berk Hess	Removed topology pointers from DD struct	commit \| commitdiff \| tree
2015-12-14	Teemu Murtola	Install baseversion.h	commit \| commitdiff \| tree
2015-12-12	Teemu Murtola	Move ifunc.* to topology/	commit \| commitdiff \| tree
2015-12-09	Teemu Murtola	Split txtdump.*, part 2	commit \| commitdiff \| tree
2015-12-03	Teemu Murtola	Move filenm.* to commandline	commit \| commitdiff \| tree
2015-11-30	Teemu Murtola	Remove topology -> mdtypes dependency	commit \| commitdiff \| tree
2015-11-30	Teemu Murtola	Remove obsolete references to legacyheaders/	commit \| commitdiff \| tree
2015-11-30	Teemu Murtola	Merge remaining legacyheaders/types/ to mdtypes/	commit \| commitdiff \| tree
2015-11-30	Teemu Murtola	Move ifunc.h to gmxlib	commit \| commitdiff \| tree
2015-11-30	Teemu Murtola	Move force_flags.h to mdlib/	commit \| commitdiff \| tree
2015-11-30	Teemu Murtola	libgromacs CMake source file management cleanup	commit \| commitdiff \| tree
2015-11-30	Teemu Murtola	Move hardware info structs to hardware/	commit \| commitdiff \| tree
2015-11-22	Teemu Murtola	Remove correlationfunctions -> mdtypes dependency	commit \| commitdiff \| tree
2015-11-21	Teemu Murtola	Use v.data() instead of &v[0] for C interop	commit \| commitdiff \| tree
2015-11-15	Mark Abraham	Move responsibility for FFT description string	commit \| commitdiff \| tree
2015-11-14	Mark Abraham	Moved all cool stuff to its own file	commit \| commitdiff \| tree
2015-11-13	Teemu Murtola	Move gmx_detect_hardware.h to gmxlib/	commit \| commitdiff \| tree
2015-11-11	Teemu Murtola	Support inspecting expected error messages in tests	commit \| commitdiff \| tree
2015-11-07	Teemu Murtola	Remove misc. copyrite.h functions	commit \| commitdiff \| tree
2015-11-07	Teemu Murtola	Move gmx_omp_nthreads.h and gmx_thread_affinity.h to...	commit \| commitdiff \| tree
2015-11-06	Teemu Murtola	Move PBC enums to pbc.*	commit \| commitdiff \| tree
2015-11-06	Teemu Murtola	Move ns.h and nsgrid.h to mdlib/	commit \| commitdiff \| tree
2015-11-05	Mark Abraham	Move DD hashing to domdec module	commit \| commitdiff \| tree
2015-11-03	Berk Hess	Removed nbnxn kernel blendv optimization	commit \| commitdiff \| tree
2015-11-01	Teemu Murtola	Remove remaining scoped_ptrs	commit \| commitdiff \| tree
2015-11-01	Teemu Murtola	Remove more scoped_ptr uses	commit \| commitdiff \| tree
2015-10-27	Teemu Murtola	Additional checks for selection input	commit \| commitdiff \| tree
2015-10-26	Teemu Murtola	Remove some boost::scoped_ptr uses	commit \| commitdiff \| tree
2015-10-24	Teemu Murtola	Change some shared_ptrs back to unique_ptr	commit \| commitdiff \| tree
2015-10-14	Teemu Murtola	Make bash completions work with bash --posix	commit \| commitdiff \| tree
2015-10-03	Teemu Murtola	Silence Python detection on CMake rerun	commit \| commitdiff \| tree
2015-10-03	Teemu Murtola	Merge branch release-5-1 into master	commit \| commitdiff \| tree
2015-10-03	Teemu Murtola	Minor cleanup in gmx insert-molecules	commit \| commitdiff \| tree
2015-10-03	Teemu Murtola	Use AtomsBuilder in gmx insert-molecules	commit \| commitdiff \| tree
2015-10-03	Teemu Murtola	Use more std::vector for solvate/insert-molecules	commit \| commitdiff \| tree
2015-10-03	Teemu Murtola	Use std::vector for makeExclusionDistances()	commit \| commitdiff \| tree
2015-10-03	Teemu Murtola	Remove SelectionOptionBehavior::useDefaultGroups	commit \| commitdiff \| tree
2015-10-02	David van der Spoel	Removed output_env_t, now using gmx_output_env_t *...	commit \| commitdiff \| tree
2015-10-01	Teemu Murtola	Move mdoutf and trajectory_writing to mdlib	commit \| commitdiff \| tree
2015-09-27	David van der Spoel	Removed types/forcerec.h from typedefs.h	commit \| commitdiff \| tree
2015-09-25	Teemu Murtola	More legacyheaders to gmxlib/mdlib	commit \| commitdiff \| tree
2015-09-25	Teemu Murtola	Move some headers from legacyheaders to mdlib/gmxlib	commit \| commitdiff \| tree
2015-09-25	Teemu Murtola	Remove types/shellfc.h	commit \| commitdiff \| tree
2015-09-19	Teemu Murtola	Convert calc_verletbuf.c to C++	commit \| commitdiff \| tree
2015-09-18	Teemu Murtola	Remove unused macros.h includes (fix build)	commit \| commitdiff \| tree
2015-09-09	Rossen Apostolov	Converted topology to C++.	commit \| commitdiff \| tree
2015-09-05	James W. Barnett	Validate strings converted to numbers in mdp files	commit \| commitdiff \| tree
2015-07-25	Teemu Murtola	Remove Options::isSet()	commit \| commitdiff \| tree
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