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2017-08-02	David van der Spoel	Worked around missing OpenMP implementation in orires.	commit \| commitdiff \| tree
2017-07-28	David van der Spoel	Added unit-test for orientation restraints output.	commit \| commitdiff \| tree
2017-07-19	David van der Spoel	Removed unnecessary static declarations for command...	commit \| commitdiff \| tree
2017-07-19	David van der Spoel	Fixed test-order dependency in gmxpreprocess tests.	commit \| commitdiff \| tree
2017-07-19	David van der Spoel	Fix non-reproducability of clustsize tests.	commit \| commitdiff \| tree
2017-05-01	David van der Spoel	Xpm test for gmx clustsize	commit \| commitdiff \| tree
2017-03-12	David van der Spoel	Added tests for gmx clustsize.	commit \| commitdiff \| tree
2017-03-04	David van der Spoel	Removes rogue printing to xvg file in gmx mindist	commit \| commitdiff \| tree
2017-02-27	David van der Spoel	Fixes bug in gmx solvate with -shell that yielded 0...	commit \| commitdiff \| tree
2017-02-03	David van der Spoel	Fixes SEGV in gmx order.	commit \| commitdiff \| tree
2017-02-02	David van der Spoel	Only print all dangling atoms with grompp -v	commit \| commitdiff \| tree
2017-01-23	David van der Spoel	Added reference for dihedral function in OPLS.	commit \| commitdiff \| tree
2016-12-07	David van der Spoel	Couple of new quotes	commit \| commitdiff \| tree
2016-11-18	David van der Spoel	Added first tests of bonded force functions.	commit \| commitdiff \| tree
2016-10-14	David van der Spoel	Fixes some memory leaks associated with testing applied...	commit \| commitdiff \| tree
2016-10-07	David van der Spoel	Modularize electric field handling	commit \| commitdiff \| tree
2016-09-27	David van der Spoel	Fixed script xplor2gmx.pl to work with GMXDATA	commit \| commitdiff \| tree
2016-09-26	David van der Spoel	Fixes issue with Release build in correlation functions.	commit \| commitdiff \| tree
2016-09-20	David van der Spoel	Made correlation function routine use std::vector	commit \| commitdiff \| tree
2016-08-24	David van der Spoel	Added documentation for shell potentials.	commit \| commitdiff \| tree
2016-08-03	David van der Spoel	Three new quotes.	commit \| commitdiff \| tree
2016-07-29	David van der Spoel	Fixes incorrect charges in OPLS/AA-L for HISD and HISE	commit \| commitdiff \| tree
2016-07-08	David van der Spoel	Introduce fatal error for too few frames in gmx dos.	commit \| commitdiff \| tree
2016-06-27	David van der Spoel	Made gmx dos work again.	commit \| commitdiff \| tree
2016-06-22	David van der Spoel	Removed spurious r_ij in force for Morse potential...	commit \| commitdiff \| tree
2016-05-08	David van der Spoel	Modify lmfit library to avoid clashes with other versions.	commit \| commitdiff \| tree
2016-03-23	David van der Spoel	Removed srenew that was making array smaller incorrectly.	commit \| commitdiff \| tree
2016-03-18	David van der Spoel	Fixed division by zero in polarize.	commit \| commitdiff \| tree
2016-01-20	David van der Spoel	Couple of new quotes	commit \| commitdiff \| tree
2016-01-07	David van der Spoel	Made normal modes work with shells and vsites	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
2015-11-21	David van der Spoel	Merged genborn.h from legacyheaders/types into mdlib...	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	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
2015-11-20	David van der Spoel	Moved legacyheaders/types/energy.h to mdtypes.	commit \| commitdiff \| tree
2015-11-15	David van der Spoel	Merged legacyheaders/types/inputrec.h into mdtypes...	commit \| commitdiff \| tree
2015-11-15	David van der Spoel	Merged legacyheaders/types/state.h into mdtypes/state.h	commit \| commitdiff \| tree
2015-11-13	David van der Spoel	Replaced atom_id by int.	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
2015-11-11	David van der Spoel	Moved inputrec.* from gmxlib and legacyheaders to mdtypes.	commit \| commitdiff \| tree
2015-11-10	David van der Spoel	Removed legacyheaders/typedefs.h	commit \| commitdiff \| tree
2015-11-03	David van der Spoel	Moved df_history utility routines from typedefs to...	commit \| commitdiff \| tree
2015-11-01	David van der Spoel	Replaced NOTSET from typedefs.h by local solutions.	commit \| commitdiff \| tree
2015-10-23	David van der Spoel	Removed energyhistory code from typedefs to a separate...	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
2015-10-03	David van der Spoel	Removed simple.h	commit \| commitdiff \| tree
2015-10-02	David van der Spoel	Removed simple.h from nb_kernel_sse4_1_XX	commit \| commitdiff \| tree
2015-10-02	David van der Spoel	Removed simple.h from nb_kernel_sse2_XX	commit \| commitdiff \| tree
2015-10-02	David van der Spoel	Removed simple.h from nb_kernel_c and nb_kernel_sparc64_hpc...	commit \| commitdiff \| tree
2015-10-02	David van der Spoel	Removed include simple.h from nb_kernel_avx_128_fma_XX	commit \| commitdiff \| tree
2015-10-02	David van der Spoel	Removed simple.h from nb_kernel_avx_256_XX	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	David van der Spoel	Removed types/nrnb.h from typedefs.h.	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	David van der Spoel	Fixes bug in the computation of Coefficient of Thermal...	commit \| commitdiff \| tree
2015-09-27	David van der Spoel	Removed types/forcerec.h from typedefs.h	commit \| commitdiff \| tree
2015-09-25	David van der Spoel	Removed include of types/ifunc.h from typedefs.h	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	Moved content from mdrun.h to separate headers.	commit \| commitdiff \| tree
2015-09-10	David van der Spoel	Removed <sys/types.h> and "types/constr.h" from typedefs	commit \| commitdiff \| tree
2015-09-09	David van der Spoel	Removed fileio/trx.h from typedefs.h	commit \| commitdiff \| tree
2015-09-08	David van der Spoel	Moved functions operating on forcerec to separate header.	commit \| commitdiff \| tree
2015-08-28	David van der Spoel	Added energy (edr) file type to Options headers.	commit \| commitdiff \| tree
2015-08-28	David van der Spoel	Added additional constructor to StringStream class...	commit \| commitdiff \| tree
2015-08-03	David van der Spoel	Made output from dumping neightborlists easier to read.	commit \| commitdiff \| tree
2015-07-31	David van der Spoel	Change initial parameters for testing expfit.	commit \| commitdiff \| tree
2015-07-29	David van der Spoel	Code for checking xvg files in testutils.	commit \| commitdiff \| tree
2015-04-17	David van der Spoel	Updated exponential fitting to make it robust.	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
2015-03-02	David van der Spoel	Updated documentation for electric fields.	commit \| commitdiff \| tree
2014-12-13	David van der Spoel	Four new quotes from around the world.	commit \| commitdiff \| tree
2014-11-28	David van der Spoel	Fixes recently introduced bug in gmx analyze.	commit \| commitdiff \| tree
2014-11-24	David van der Spoel	Added warnings for ewald-geometry and surface-epsilon	commit \| commitdiff \| tree
2014-10-28	David van der Spoel	Even more refreshing quotes.	commit \| commitdiff \| tree
2014-10-14	David van der Spoel	Reorganizing analysis of correlation functions.	commit \| commitdiff \| tree
2014-09-23	David van der Spoel	Fixes potential bug in neighborsearching.	commit \| commitdiff \| tree
2014-09-17	David van der Spoel	Merge release-5-0 into master	commit \| commitdiff \| tree
2014-09-10	David van der Spoel	Remove .tpa, .tpb, .tpx, .trj files. Part of #1500.	commit \| commitdiff \| tree
2014-08-30	David van der Spoel	Fixes issue with vsiten and verlet buffers.	commit \| commitdiff \| tree
2014-07-05	David van der Spoel	Fixed inconsistency in blocka handling.	commit \| commitdiff \| tree
2014-06-29	David van der Spoel	Fixes #1532, SEGV in g_current.	commit \| commitdiff \| tree
2014-06-25	David van der Spoel	Added check for domain decomposition and shells.	commit \| commitdiff \| tree
2014-06-24	David van der Spoel	Added check in grompp for shells and inputrec issues.	commit \| commitdiff \| tree
2014-06-22	David van der Spoel	Implemented fatal error for nstcalcenergy!=1 with shells.	commit \| commitdiff \| tree
2014-06-13	David van der Spoel	Fix memory-usage error in g_chi	commit \| commitdiff \| tree
2014-06-11	David van der Spoel	Fixes bug where -e and -dt flags did not work anymore.	commit \| commitdiff \| tree
2014-06-07	David van der Spoel	Merge "Merge release-5-0 into master"	commit \| commitdiff \| tree
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