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2010-11-23	Carsten Kutzner	Enforced rotation: code cleanup	commit \| commitdiff \| tree
2010-11-18	Carsten Kutzner	Better description of rotation options	commit \| commitdiff \| tree
2010-11-17	Carsten Kutzner	Removed unnecessary include	commit \| commitdiff \| tree
2010-11-17	Carsten Kutzner	Merge branch 'rotation'	commit \| commitdiff \| tree
2010-11-17	Carsten Kutzner	Merge branch 'release-4-5-patches'	commit \| commitdiff \| tree
2010-11-15	Carsten Kutzner	Merge branch 'rotation-4-5' into rotation	commit \| commitdiff \| tree
2010-11-15	Carsten Kutzner	Enforced rotation: define Gaussian norm	commit \| commitdiff \| tree
2010-11-15	Carsten Kutzner	Merge branch 'rotation-4-5' into rotation	commit \| commitdiff \| tree
2010-11-15	Carsten Kutzner	Enforced rotation: use the right tpx_version	commit \| commitdiff \| tree
2010-11-15	Carsten Kutzner	Enforced rotation: set the right tpx_version	commit \| commitdiff \| tree
2010-11-15	Carsten Kutzner	Merge branch 'release-4-5-patches' into rotation-4-5	commit \| commitdiff \| tree
2010-11-08	Carsten Kutzner	Merge branch 'master' into rotation	commit \| commitdiff \| tree
2010-11-08	Carsten Kutzner	Merge branch 'rotation-4-5' into rotation	commit \| commitdiff \| tree
2010-11-08	Carsten Kutzner	Enforced rotatin: Put in check for acos value; enhanced...	commit \| commitdiff \| tree
2010-11-08	Carsten Kutzner	Merge branch 'release-4-5-patches' into rotation-4-5	commit \| commitdiff \| tree
2010-11-05	Carsten Kutzner	Merge branch 'rotation-4-5' into rotation	commit \| commitdiff \| tree
2010-11-05	Carsten Kutzner	Flexible RMSD fitting is now optionally mass-weighted	commit \| commitdiff \| tree
2010-11-05	Carsten Kutzner	Print warning when reference file is set but could...	commit \| commitdiff \| tree
2010-11-05	Carsten Kutzner	Merge branch 'release-4-5-patches' into rotation-4-5	commit \| commitdiff \| tree
2010-11-04	Carsten Kutzner	Merge branch 'rotation-4-5' into rotation	commit \| commitdiff \| tree
2010-11-04	Carsten Kutzner	Doxygen comment for dd_make_local_rotation_groups	commit \| commitdiff \| tree
2010-11-04	Carsten Kutzner	Merge branch 'master' into rotation	commit \| commitdiff \| tree
2010-11-04	Carsten Kutzner	Merge branch 'release-4-5-patches' into rotation-4-5	commit \| commitdiff \| tree
2010-11-04	Carsten Kutzner	Merge branch 'rotation-4-5' into rotation	commit \| commitdiff \| tree
2010-11-04	Carsten Kutzner	Updated normalization factor	commit \| commitdiff \| tree
2010-10-29	Carsten Kutzner	Fixed segv in gmx_hbond	commit \| commitdiff \| tree
2010-10-22	Carsten Kutzner	Fixed segv in g_potential. Field output has now also...	commit \| commitdiff \| tree
2010-09-22	Carsten Kutzner	Merge branch 'rotation-4-5' into rotation	commit \| commitdiff \| tree
2010-09-22	Carsten Kutzner	Enforced rotation: corrected PBC treatment	commit \| commitdiff \| tree
2010-09-22	Carsten Kutzner	Merge branch 'rotation-4-5' into rotation	commit \| commitdiff \| tree
2010-09-22	Carsten Kutzner	Merge branch 'release-4-5-patches' into rotation-4-5	commit \| commitdiff \| tree
2010-09-21	Carsten Kutzner	Added missing #ifdef around MPI directive	commit \| commitdiff \| tree
2010-09-20	Carsten Kutzner	gmx_pme_error now uses at most all charges for the...	commit \| commitdiff \| tree
2010-09-20	Carsten Kutzner	Merge branch 'rotation-4-5' into rotation	commit \| commitdiff \| tree
2010-09-20	Carsten Kutzner	Enforced rotation: Issue a warning when actual box...	commit \| commitdiff \| tree
2010-09-20	Carsten Kutzner	Merge branch 'release-4-5-patches' into rotation-4-5	commit \| commitdiff \| tree
2010-09-17	Carsten Kutzner	Fixed reproducibility of g_pme_error results in parallel	commit \| commitdiff \| tree
2010-09-17	Carsten Kutzner	Merge branch 'rotation-4-5' into rotation	commit \| commitdiff \| tree
2010-09-17	Carsten Kutzner	Enforced rotation: be more verbose if -v switch is...	commit \| commitdiff \| tree
2010-09-17	Carsten Kutzner	Merge branch 'release-4-5-patches' into rotation-4-5	commit \| commitdiff \| tree
2010-09-16	Carsten Kutzner	Merge branch 'rotation-4-5' into rotation	commit \| commitdiff \| tree
2010-09-16	Carsten Kutzner	Enforced rotation now uses thread-save gmx_qsort	commit \| commitdiff \| tree
2010-09-16	Carsten Kutzner	Merge branch 'rotation-4-5' into rotation	commit \| commitdiff \| tree
2010-09-16	Carsten Kutzner	Enforced rotation: added flex-t and flex2-t potentials	commit \| commitdiff \| tree
2010-09-14	Carsten Kutzner	Removed unused code from g_pme_error	commit \| commitdiff \| tree
2010-09-14	Carsten Kutzner	Merge branch 'release-4-5-patches' into rotation-4-5	commit \| commitdiff \| tree
2010-09-01	Carsten Kutzner	Fixed make_edi when no fitting was done in g_covar	commit \| commitdiff \| tree
2010-08-30	Carsten Kutzner	Enforced rotation: preparations for flex-t and flex2...	commit \| commitdiff \| tree
2010-08-30	Carsten Kutzner	Enforced rotation: preparations for flex-t and flex2...	commit \| commitdiff \| tree
2010-08-30	Carsten Kutzner	Merge branch 'master' into rotation	commit \| commitdiff \| tree
2010-08-30	Carsten Kutzner	Merge branch 'release-4-5-patches' into rotation-4-5	commit \| commitdiff \| tree
2010-08-27	Carsten Kutzner	Enforced rotation: Removed unused enum	commit \| commitdiff \| tree
2010-08-27	Carsten Kutzner	Merge branch 'master' into rotation	commit \| commitdiff \| tree
2010-08-27	Carsten Kutzner	Enforced rotation: Removed unused enum	commit \| commitdiff \| tree
2010-08-27	Carsten Kutzner	Merge branch 'release-4-5-patches' into rotation-4-5	commit \| commitdiff \| tree
2010-07-29	Carsten Kutzner	Merge branch 'master' into rotation	commit \| commitdiff \| tree
2010-07-28	Carsten Kutzner	Merge branch 'master' into rotation	commit \| commitdiff \| tree
2010-07-27	Carsten Kutzner	Merge branch 'master' into rotation	commit \| commitdiff \| tree
2010-07-27	Carsten Kutzner	Enforced rotation: corrected variable type	commit \| commitdiff \| tree
2010-07-27	Carsten Kutzner	Merge branch 'master' into rotation	commit \| commitdiff \| tree
2010-07-27	Carsten Kutzner	Merge branch 'master' into rotation	commit \| commitdiff \| tree
2010-07-26	Carsten Kutzner	Merge branch 'master' into rotation	commit \| commitdiff \| tree
2010-07-26	Carsten Kutzner	Enforced rotation: add string.h header	commit \| commitdiff \| tree
2010-07-23	Carsten Kutzner	Merge branch 'master' into rotation	commit \| commitdiff \| tree
2010-07-23	Carsten Kutzner	Enforced rotation: do not print diagnostic output	commit \| commitdiff \| tree
2010-07-22	Carsten Kutzner	Removed // comment in qm_orca.c	commit \| commitdiff \| tree
2010-07-22	Carsten Kutzner	Merge branch 'master' into rotation	commit \| commitdiff \| tree
2010-07-21	Carsten Kutzner	Merge branch 'master' into rotation	commit \| commitdiff \| tree
2010-07-21	Carsten Kutzner	Enforced rotation	commit \| commitdiff \| tree
2010-07-21	Carsten Kutzner	Merge branch 'master' into rotation	commit \| commitdiff \| tree
2010-07-20	Carsten Kutzner	Merge branch 'master' into rotation	commit \| commitdiff \| tree
2010-07-19	Carsten Kutzner	Enforced rotation: fix masses array	commit \| commitdiff \| tree
2010-07-19	Carsten Kutzner	Merge branch 'master' into rotation	commit \| commitdiff \| tree
2010-07-16	Carsten Kutzner	Merge branch 'master' into rotation	commit \| commitdiff \| tree
2010-07-14	Carsten Kutzner	Fixed several minor issues in ED/flooding module	commit \| commitdiff \| tree
2010-07-13	Carsten Kutzner	Merge branch 'master' into rotation	commit \| commitdiff \| tree
2010-07-12	Carsten Kutzner	g_tune_pme now recalculates scaling factors from actual...	commit \| commitdiff \| tree
2010-07-06	Carsten Kutzner	Merge branch 'master' into rotation	commit \| commitdiff \| tree
2010-07-06	Carsten Kutzner	Enforced rotation: precalculation of inner sum for...	commit \| commitdiff \| tree
2010-06-29	Carsten Kutzner	add -cpnum support to g_tune_pme	commit \| commitdiff \| tree
2010-06-28	Carsten Kutzner	moved error-check after logfile parsing	commit \| commitdiff \| tree
2010-06-25	Carsten Kutzner	Parse stderr of tuning runs to catch fatal errors which...	commit \| commitdiff \| tree
2010-06-25	Carsten Kutzner	hidden -passall option can be used to add extra strings...	commit \| commitdiff \| tree
2010-06-24	Carsten Kutzner	speed up tuning for large numbers of processes	commit \| commitdiff \| tree
2010-06-24	Carsten Kutzner	try to avoid weird PME/PP combinations in g_tune_pme	commit \| commitdiff \| tree
2010-06-22	Carsten Kutzner	g_tune_pme now also updates rlistlong etc.	commit \| commitdiff \| tree
2010-06-21	Carsten Kutzner	g_tune_pme: add option to choose how nprocs is passed...	commit \| commitdiff \| tree
2010-06-17	Carsten Kutzner	Merge branch 'master' of git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-06-17	Carsten Kutzner	fixed tuning for loadleveler and updated it to modified...	commit \| commitdiff \| tree
2010-06-16	Carsten Kutzner	fixed g_tune_pme for the use with IBM's poe	commit \| commitdiff \| tree
2010-06-08	Carsten Kutzner	fixed continuation runs with essential dynamics	commit \| commitdiff \| tree
2010-06-04	Carsten Kutzner	removed todo item	commit \| commitdiff \| tree
2010-06-04	Carsten Kutzner	fixed tuning with checkpoint files	commit \| commitdiff \| tree
2010-06-04	Carsten Kutzner	fixed file appending for essential dynamics output...	commit \| commitdiff \| tree
2010-06-04	Carsten Kutzner	fixed -deffnm option for g_tune_pme	commit \| commitdiff \| tree
2010-06-03	Carsten Kutzner	Enforced rotation: ISO, ISO-PF, PM, PM-PF now have...	commit \| commitdiff \| tree
2010-04-29	Carsten Kutzner	Enforced rotation: started to implement mass-weighted...	commit \| commitdiff \| tree
2010-04-23	Carsten Kutzner	Merge branch 'master' of git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-04-23	Carsten Kutzner	fixed segv's in gmx_cluster when used with xpm input...	commit \| commitdiff \| tree
2010-03-29	Carsten Kutzner	Note	commit \| commitdiff \| tree
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