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2016-10-14	Teemu Murtola	Use gmx_mtop_t in selections, part 3	commit \| commitdiff \| tree
2016-10-13	Teemu Murtola	Getter for mapped paths from KeyValueTreeTransform	commit \| commitdiff \| tree
2016-10-08	Berk Hess	Add readConfAndTopology	commit \| commitdiff \| tree
2016-10-03	Philip Loche	EW3DC for non-neutral systems	commit \| commitdiff \| tree
2016-10-01	Berk Hess	Fix inputrec initialization in 4 tools	commit \| commitdiff \| tree
2016-09-29	Berk Hess	Use std::vector in t_state	commit \| commitdiff \| tree
2016-09-29	Berk Hess	Add flags for optional t_atoms entries	commit \| commitdiff \| tree
2016-09-20	Berk Hess	Remove state duplication in serial runs	commit \| commitdiff \| tree
2016-09-20	David van der Spoel	Made correlation function routine use std::vector	commit \| commitdiff \| tree
2016-09-16	Berk Hess	Made distance restraints work with threads and DD	commit \| commitdiff \| tree
2016-09-15	Aleksei Iupinov	Move the PME Ewald coefficients to the PME structure	commit \| commitdiff \| tree
2016-09-13	Roland Schulz	Tidy: modernize-use-emplace	commit \| commitdiff \| tree
2016-09-13	Berk Hess	Change ED and swapstate to pointers in t_state	commit \| commitdiff \| tree
2016-09-11	Vedran Miletić	Print OpenCL error string instead of error code	commit \| commitdiff \| tree
2016-09-10	Berk Hess	Remove continuation from convert_tpr	commit \| commitdiff \| tree
2016-09-10	Aleksei Iupinov	Fix PME data destructor not being called	commit \| commitdiff \| tree
2016-09-05	David van der Spoel	Merge "Merge branch release-2016"	commit \| commitdiff \| tree
2016-08-27	Szilárd Páll	Make ASAN/TSAN/MSAN build types easier to discover	commit \| commitdiff \| tree
2016-08-27	Mark Abraham	Stop using gmx_fatal in grompp	commit \| commitdiff \| tree
2016-08-27	Teemu Murtola	Support KeyValueTree objects in refdata	commit \| commitdiff \| tree
2016-08-27	Berk Hess	Reduce rounding errors in SETTLE	commit \| commitdiff \| tree
2016-08-27	Roland Schulz	Fix build with GMX_USE_TNG=off	commit \| commitdiff \| tree
2016-08-24	David van der Spoel	Added documentation for shell potentials.	commit \| commitdiff \| tree
2016-07-31	David van der Spoel	Merge "Merge branch release-5-1 into release-2016"...	commit \| commitdiff \| tree
2016-07-08	Vedran Miletić	Print working dir before command line	commit \| commitdiff \| tree
2016-07-08	David van der Spoel	Merge "Merge branch release-5-1 into release-2016"...	commit \| commitdiff \| tree
2016-07-08	Szilárd Páll	User guide clarifications	commit \| commitdiff \| tree
2016-07-07	Berk Hess	Relax pull PBC check	commit \| commitdiff \| tree
2016-07-03	Berk Hess	Add grompp check for pull group	commit \| commitdiff \| tree
2016-06-27	David van der Spoel	Made gmx dos work again.	commit \| commitdiff \| tree
2016-06-26	Berk Hess	Fix vsite bug with MPI+OpenMP	commit \| commitdiff \| tree
2016-06-21	Berk Hess	Fix bug with fbposres+MPI+OpenMP	commit \| commitdiff \| tree
2016-05-30	Berk Hess	Add grompp check for unbound atoms	commit \| commitdiff \| tree
2016-05-08	Mark Abraham	Fix constants, units and conversion factors	commit \| commitdiff \| tree
2016-03-23	David van der Spoel	Removed srenew that was making array smaller incorrectly.	commit \| commitdiff \| tree
2016-01-20	David van der Spoel	Couple of new quotes	commit \| commitdiff \| tree
2015-12-09	Teemu Murtola	Split txtdump.*, part 1	commit \| commitdiff \| tree
2015-12-05	Magnus Lundborg	Write forces and velocities to compressed TNG.	commit \| commitdiff \| tree
2015-11-24	David van der Spoel	Fixes newly introduced bug in make_ndx.	commit \| commitdiff \| tree
2015-11-23	David van der Spoel	Moved domdec structures out of commrec.h.	commit \| commitdiff \| tree
2015-11-22	David van der Spoel	Cleanups in legacyheader/types/commrec.h	commit \| commitdiff \| tree
2015-11-21	David van der Spoel	Merged legacyheaders/types/qmmmrec.h into mdlib/qmmm.h	commit \| commitdiff \| tree
2015-11-20	David van der Spoel	Moved legacyheaders/types/group.h to mdtypes.	commit \| commitdiff \| tree
2015-11-20	David van der Spoel	Merged legacyheaders/types/ns.h and nblist.h to mdtypes...	commit \| commitdiff \| tree
2015-11-20	David van der Spoel	Combine enums.h and names*.	commit \| commitdiff \| tree
2015-11-20	Mark Abraham	Split wallcycle interface	commit \| commitdiff \| tree
2015-11-20	David van der Spoel	Merged legacyheaders/nrnb.h and types/nrnb.h to gmxlib.	commit \| commitdiff \| tree
2015-11-20	David van der Spoel	Moved mdatom.h from legacyheader/types to mdtypes.	commit \| commitdiff \| tree
2015-11-15	David van der Spoel	Merged legacyheaders/types/state.h into mdtypes/state.h	commit \| commitdiff \| tree
2015-11-14	Berk Hess	Optimized the bonded thread force reduction	commit \| commitdiff \| tree
2015-11-13	David van der Spoel	Moved genborn.h to mdlib	commit \| commitdiff \| tree
2015-11-12	David van der Spoel	Moved txtdump.* to fileio.	commit \| commitdiff \| tree
2015-11-12	David van der Spoel	Moved copyrite.* to fileio from gmxlib and legacyheaders.	commit \| commitdiff \| tree
2015-10-18	David van der Spoel	Moved pbc/cut-off related utilities from typedefs to...	commit \| commitdiff \| tree
2015-10-15	David van der Spoel	Freed memory in legacy statistics routines.	commit \| commitdiff \| tree
2015-10-15	Berk Hess	Fixed nbnxn_4xN performance regression	commit \| commitdiff \| tree
2015-10-07	Berk Hess	Fix bugs with intermol interactions and DD	commit \| commitdiff \| tree
2015-10-03	David van der Spoel	Removed simple.h	commit \| commitdiff \| tree
2015-10-02	David van der Spoel	Removed simple.h from nb_kernel_avx_256_XX	commit \| commitdiff \| tree
2015-10-01	Teemu Murtola	Enable time unit and selections in ICommandLineOptionsModule	commit \| commitdiff \| tree
2015-09-30	David van der Spoel	Removed types/nblist.h and types/nsgrid.h from typedefs.h	commit \| commitdiff \| tree
2015-09-30	David van der Spoel	Removed types/mdatom.h from typedefs.h	commit \| commitdiff \| tree
2015-09-29	David van der Spoel	Removed types/inputrec.h from typedefs.h and releted...	commit \| commitdiff \| tree
2015-09-29	Mark Abraham	Clean up of tables code	commit \| commitdiff \| tree
2015-09-29	Mark Abraham	Move tables.c to new module and C++	commit \| commitdiff \| tree
2015-09-29	David van der Spoel	Fixes bug in the computation of Coefficient of Thermal...	commit \| commitdiff \| tree
2015-09-22	David van der Spoel	Removed four includes from legacyheaders/typedefs.h	commit \| commitdiff \| tree
2015-09-22	David van der Spoel	Removed legacyheaders/types/commrec_fwd.h from typedef.h	commit \| commitdiff \| tree
2015-09-10	David van der Spoel	Removed <sys/types.h> and "types/constr.h" from typedefs	commit \| commitdiff \| tree
2015-09-08	David van der Spoel	Moved functions operating on forcerec to separate header.	commit \| commitdiff \| tree
2015-09-04	Rossen Apostolov	Converted essentialdynamics module to C++.	commit \| commitdiff \| tree
2015-09-02	Béla Voß	Avoid integer overflow in gmx_wham by using gmx_int64_t.	commit \| commitdiff \| tree
2015-08-03	David van der Spoel	Made output from dumping neightborlists easier to read.	commit \| commitdiff \| tree
2015-07-29	Erik Lindahl	Moved another bunch of mdlib utils to C++	commit \| commitdiff \| tree
2015-07-29	Erik Lindahl	Update naming standards to avoid hungarian notation...	commit \| commitdiff \| tree
2015-07-24	Teemu Murtola	Rename trnio.* to trrio.*	commit \| commitdiff \| tree
2015-05-12	Jochen Hub	OpenMP parallelization of g_wham	commit \| commitdiff \| tree
2015-04-09	David van der Spoel	Clarified comments for time-dependent electric fields.	commit \| commitdiff \| tree
2015-04-08	David van der Spoel	Fixed incorrect output of gb_algorith as sa_algorithm.	commit \| commitdiff \| tree
2014-10-28	David van der Spoel	Even more refreshing quotes.	commit \| commitdiff \| tree
2014-09-22	Mark Abraham	More quotes	commit \| commitdiff \| tree
2014-09-22	Erik Lindahl	More quotes	commit \| commitdiff \| tree
2014-09-19	Teemu Murtola	Add support for cumulative histograms	commit \| commitdiff \| tree
2014-09-17	David van der Spoel	Merge release-5-0 into master	commit \| commitdiff \| tree
2014-08-30	David van der Spoel	Fixes issue with vsiten and verlet buffers.	commit \| commitdiff \| tree
2014-06-25	David van der Spoel	Added check for domain decomposition and shells.	commit \| commitdiff \| tree
2014-06-22	David van der Spoel	Implemented fatal error for nstcalcenergy!=1 with shells.	commit \| commitdiff \| tree
2014-06-13	Berk Hess	Made shells work with the Verlet scheme	commit \| commitdiff \| tree
2014-06-12	Berk Hess	Made gmxcheck -rmsd work again with forces	commit \| commitdiff \| tree
2014-06-12	Erik Lindahl	Make sure genrestr uses the disre_up2 parameter	commit \| commitdiff \| tree
2014-06-12	Erik Lindahl	Removed undocumented -map and -mdata options from g_sham.	commit \| commitdiff \| tree
2014-06-12	Erik Lindahl	Always write output from genion	commit \| commitdiff \| tree
2014-06-11	David van der Spoel	Fixes bug where -e and -dt flags did not work anymore.	commit \| commitdiff \| tree
2014-06-11	Berk Hess	Made repl_ex time step more readable	commit \| commitdiff \| tree
2014-06-07	Teemu Murtola	Improve (Selection\|FileName)OptionManager handling	commit \| commitdiff \| tree
2014-06-07	Teemu Murtola	Replace all command line parsing with Options	commit \| commitdiff \| tree
2014-06-07	Teemu Murtola	Move residuetype handling to its own file.	commit \| commitdiff \| tree
2014-06-07	Teemu Murtola	Remove support for "old" index file format	commit \| commitdiff \| tree
2014-05-31	Magnus Lundborg	Fix bug writing TNG output from dump.	commit \| commitdiff \| tree
2014-05-31	Magnus Lundborg	Bug fix in the TNG library to improve reading.	commit \| commitdiff \| tree
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