BioD PNPI Git Repos - alexxy/gromacs.git/history

biod.pnpi.spb.ru / alexxy / gromacs.git / history

[alexxy/gromacs.git] / include / update.h

2014-06-05	Berk Hess	Fix constraint virial with multiple time stepping	blob \| commitdiff \| raw
2014-03-01	Mark Abraham	Add fatal error for Andersen+constraints+DD	blob \| commitdiff \| raw \| diff to current
2013-04-19	Teemu Murtola	Merge branch 'release-4-5-patches'	blob \| commitdiff \| raw \| diff to current
2013-03-26	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-02-20	Mark Abraham	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-01-22	Mark Abraham	Merge "added missing cleanup of some nbnxn_cuda data...	blob \| commitdiff \| raw \| diff to current
2013-01-18	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-01-18	Roland Schulz	Code beautification with uncrustify	blob \| commitdiff \| raw \| diff to current
2013-01-18	Mark Abraham	Fixing copyright issues and code contributors	blob \| commitdiff \| raw \| diff to current
2013-01-17	Mark Abraham	Merge branch 'release-4-5-patches' into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-01-11	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-11-29	Mark Abraham	Update copyright statements and change license to LGPL	blob \| commitdiff \| raw \| diff to current
2012-11-27	Roland Schulz	Add visibility defines	blob \| commitdiff \| raw \| diff to current
2012-11-26	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-11-20	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-11-03	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-10-02	Szilard Pall	added Verlet scheme and NxN non-bonded functionality	blob \| commitdiff \| raw \| diff to current
2012-10-01	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-09-03	Szilard Pall	Merge branch 'release-4-5-patches' into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-07-13	Roland Schulz	Merge release-4.5-patches into HEAD	blob \| commitdiff \| raw \| diff to current
2012-06-04	Michael Shirts	Merging in free energy, exp. ensemble, & andersen t...	blob \| commitdiff \| raw \| diff to current
2012-06-01	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-05-07	Teemu Murtola	Merge branch 'gerrit/release-4-5-patches' into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-04-29	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-04-29	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-04-26	Berk Hess	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-04-25	Berk Hess	replaced PPPM by P3M-AD: a few lines in pme.c	blob \| commitdiff \| raw \| diff to current
2011-01-30	David van der Spoel	Merge branch 'release-4-5-patches' into orderparm	blob \| commitdiff \| raw \| diff to current
2010-08-25	Rossen Apostolov	Redefine the default boolean type to gmx_bool.	blob \| commitdiff \| raw \| diff to current
2010-08-23	Rossen Apostolov	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-22	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-22	Erik Lindahl	Cleaned up all installed headers to remove strict depen...	blob \| commitdiff \| raw \| diff to current
2010-08-21	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-19	Michael Shirts	Additional fixes to the nsttcouple and nstpcouple worki...	blob \| commitdiff \| raw \| diff to current
2010-08-19	Michael Shirts	Proposed fix for v-rescale and berendsen for velocity...	blob \| commitdiff \| raw \| diff to current
2010-08-17	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-17	Michael Shirts	Merge branch 'release-4-5-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2010-08-17	Berk Hess	added function rescale_velocities	blob \| commitdiff \| raw \| diff to current
2010-08-03	Berk Hess	made vrescale and Berendsen tcouple work with VV, altho...	blob \| commitdiff \| raw \| diff to current
2010-07-29	Christoph Junghans	Merge branch 'master' of git://git.gromacs.org/gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-28	Christoph Junghans	Merge branch 'master' of git://git.gromacs.org/gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-28	Christoph Junghans	fixed rest of include typos in headers	blob \| commitdiff \| raw \| diff to current
2010-07-21	Berk	corrected the order of the parallel inputrec and state...	blob \| commitdiff \| raw \| diff to current
2010-07-12	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-10	Michael Shirts	Fixed minor formatting conflict.	blob \| commitdiff \| raw \| diff to current
2010-07-10	Michael Shirts	Fixing the include file definition for trotter_update.	blob \| commitdiff \| raw \| diff to current
2010-06-27	David van der Spoel	Added missing argument step to trotter_update. How...	blob \| commitdiff \| raw \| diff to current
2010-06-09	Gerrit Groenhof	Merge branch 'master' into qmmm	blob \| commitdiff \| raw \| diff to current
2010-04-27	Berk Hess	resolved merge conflicts	blob \| commitdiff \| raw \| diff to current
2010-03-02	Roland Schulz	Merge branch 'release-4-0-patches'	blob \| commitdiff \| raw \| diff to current
2010-02-05	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-02-04	Berk Hess	made VV bufstate reallocation cleaner	blob \| commitdiff \| raw \| diff to current
2010-01-19	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-17	Michael Shirts	Revisions to harmonize velocity verlet with Berk's...	blob \| commitdiff \| raw \| diff to current
2009-12-21	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-20	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-19	Michael Shirts	Merge branch 'master' of git://git.gromacs.org/gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-19	Michael Shirts	Some bug fixes for the dispersion correction.	blob \| commitdiff \| raw \| diff to current
2009-12-19	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-19	Michael Shirts	Making the code thread safe (removing the static ints...	blob \| commitdiff \| raw \| diff to current
2009-12-17	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-05	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-04	Michael Shirts	Rewrite of the half-step ekin for velocity verlet,...	blob \| commitdiff \| raw \| diff to current
2009-11-30	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-11-27	Roland Schulz	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-11-27	Sander Pronk	C++ fixes: fixed 'extern "C"' in header files m-z.	blob \| commitdiff \| raw \| diff to current
2009-11-20	Michael Shirts	Working with velocity verlet / harmonic bonds with...	blob \| commitdiff \| raw \| diff to current
2009-11-19	Michael Shirts	Partway through with rationalization of different integ...	blob \| commitdiff \| raw \| diff to current
2009-11-18	Michael Shirts	Fix for kinetic average energy.	blob \| commitdiff \| raw \| diff to current
2009-11-15	Michael Shirts	Changed the organization of trotter updates to make...	blob \| commitdiff \| raw \| diff to current
2009-11-14	Michael Shirts	changed setup of trotter decomposition to make it easie...	blob \| commitdiff \| raw \| diff to current
2009-11-05	Michael Shirts	Committing changes to have the arguments to compute_glo...	blob \| commitdiff \| raw \| diff to current
2009-10-25	Michael Shirts	Made changes suggested by Berk.	blob \| commitdiff \| raw \| diff to current
2009-09-26	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-26	Michael Shirts	Now we are getting energy conservation with NPT, and...	blob \| commitdiff \| raw \| diff to current
2009-09-23	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-23	Michael Shirts	Code now almost conserves energy. I should investigate...	blob \| commitdiff \| raw \| diff to current
2009-09-19	Michael Shirts	Making more drastic changes to try to get a conserved...	blob \| commitdiff \| raw \| diff to current
2009-09-18	Michael Shirts	A number of changes to try to rationalize constraints...	blob \| commitdiff \| raw \| diff to current
2009-09-14	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-14	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-09	Michael Shirts	Merge branch 'master' of git://git.gromacs.org/gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-09	Erik Lindahl	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-07	Michael Shirts	A number of changes to gromacs_mrs. Almost working...	blob \| commitdiff \| raw \| diff to current
2009-09-07	Roland Schulz	renamed gmx_step_t to gmx_large_int_t. gmx_large_int_t...	blob \| commitdiff \| raw \| diff to current
2009-08-21	Sander Pronk	Merge branch 'thread_mpi'. Threads should work for...	blob \| commitdiff \| raw \| diff to current
2009-08-04	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-08-03	Berk Hess	changed the twin-range integrator to a symplectic Trott...	blob \| commitdiff \| raw \| diff to current
2009-07-14	Berk Hess	added mdp parameters nstcalcenergy and rlistlong and...	blob \| commitdiff \| raw \| diff to current
2009-06-17	Sander Pronk	Merge branch 'thread_mpi'	blob \| commitdiff \| raw \| diff to current
2009-06-17	Berk Hess	removed static variables	blob \| commitdiff \| raw \| diff to current
2009-06-04	Erik Lindahl	Removed Id tags from master branch since they will...	blob \| commitdiff \| raw \| diff to current
2009-06-03	hess	moved the cos accel if statement into calc_ke_part	blob \| commitdiff \| raw \| diff to current
2009-04-09	hess	replaced the global buf vector by local vectors	blob \| commitdiff \| raw \| diff to current
2009-02-02	hess	changed most step count variables from int to gmx_step_t	blob \| commitdiff \| raw \| diff to current
2008-11-23	hess	made pressure/virial calculation optional	blob \| commitdiff \| raw \| diff to current
2008-10-09	hess	added missing coordinate scaling for Parrinello-Rahman...	blob \| commitdiff \| raw \| diff to current
2008-10-09	hess	added missing coordinate scaling for Parrinello-Rahman...	blob \| commitdiff \| raw \| diff to current
2008-09-21	hess	fixed the slight kinetic energy mismatch at continuatio...	blob \| commitdiff \| raw \| diff to current
2008-09-21	hess	fixed the slight kinetic energy mismatch at continuatio...	blob \| commitdiff \| raw \| diff to current
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