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

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

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

2010-08-25	Rossen Apostolov	Redefine the default boolean type to gmx_bool.	blob \| commitdiff \| raw
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
2010-07-26	Erik Lindahl	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-26	Berk Hess	added natoms_force_constr to t_forcerec	blob \| commitdiff \| raw \| diff to current
2010-07-10	Michael Shirts	Fixed minor formatting conflict.	blob \| commitdiff \| raw \| diff to current
2010-07-05	Maarten Wolf	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-02	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-02	Rossen Apostolov	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-02	Rossen Apostolov	Disable AllvsAll kernels for very small systems (<...	blob \| commitdiff \| raw \| diff to current
2010-06-20	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-18	Gerrit Groenhof	Merge branch 'master' into qmmm	blob \| commitdiff \| raw \| diff to current
2010-06-17	Maarten Wolf	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-17	Szilard Pall	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-16	kasson	Merge branch 'mymaster'	blob \| commitdiff \| raw \| diff to current
2010-06-15	Berk Hess	allvsall loops now trigger particle decomposition	blob \| commitdiff \| raw \| diff to current
2010-06-09	Gerrit Groenhof	Merge branch 'master' into qmmm	blob \| commitdiff \| raw \| diff to current
2010-03-02	Roland Schulz	Merge branch 'release-4-0-patches'	blob \| commitdiff \| raw \| diff to current
2010-01-05	Roland Schulz	Undo Michael's accidental commits with:	blob \| commitdiff \| raw \| diff to current
2010-01-04	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-27	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-27	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-23	Michael Shirts	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	Committing to merge	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
2009-11-30	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	Roland Schulz	C++ fixes part2; extern C fixes in header files a*...	blob \| commitdiff \| raw \| diff to current
2009-10-16	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	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
2009-09-25	Erik Lindahl	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-23	Berk Hess	fixed another issue with mdrun -rerun with a tpr withou...	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	Roland Schulz	renamed gmx_step_t to gmx_large_int_t. gmx_large_int_t...	blob \| commitdiff \| raw \| diff to current
2009-08-30	kasson	Tool merge	blob \| commitdiff \| raw \| diff to current
2009-08-27	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	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
2009-07-06	Sander Pronk	more const-correctness fixes	blob \| commitdiff \| raw \| diff to current
2009-06-30	Sander Pronk	added output_env_t type for querying time scales, and...	blob \| commitdiff \| raw \| diff to current
2009-06-26	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-06-26	Berk Hess	moved the force wallcycle_stop from do_forcelowlevel...	blob \| commitdiff \| raw \| diff to current
2009-06-22	Berk Hess	added the repulsion power to the tpr file and added...	blob \| commitdiff \| raw \| diff to current
2009-06-18	Sander Pronk	Merge branch 'thread_mpi' of git@git.gromacs.org:gromac...	blob \| commitdiff \| raw \| diff to current
2009-06-18	Berk Hess	removed static variables and rearranged some data struc...	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	teemu	Improved compilation (no errors, less warnings) of...	blob \| commitdiff \| raw \| diff to current
2009-04-21	lindahl	Parallel domain decomposition support for Generalized...	blob \| commitdiff \| raw \| diff to current
2009-04-09	hess	replaced the global buf vector by local vectors	blob \| commitdiff \| raw \| diff to current
2009-03-30	hess	renamed dgdl to dhdl	blob \| commitdiff \| raw \| diff to current
2009-03-27	hess	implemented foreign lambda free energy difference code	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
2009-02-02	lindahl	Second round of generalized born commit. There is now...	blob \| commitdiff \| raw \| diff to current
2009-01-30	lindahl	Initial commit of generalized born electrostatics....	blob \| commitdiff \| raw \| diff to current
2009-01-12	hess	added ncg_force to forcerec	blob \| commitdiff \| raw \| diff to current
2008-12-01	hess	changed the time and lambda parameters in inputrec...	blob \| commitdiff \| raw \| diff to current
2008-11-23	hess	made pressure/virial calculation optional	blob \| commitdiff \| raw \| diff to current
2008-11-13	hess	put the local range dependent forcerec allocation code...	blob \| commitdiff \| raw \| diff to current
2008-08-21	hess	fixed bad (dynamic) load balancing with PME without...	blob \| commitdiff \| raw \| diff to current
2008-08-12	hess	introced a new structure for the local topology in...	blob \| commitdiff \| raw \| diff to current
2008-08-11	hess	split the t_group struct into a gmx_ekindata_t struct...	blob \| commitdiff \| raw \| diff to current
2008-08-05	hess	t_topology is now partially replaced by gmx_mtop_t...	blob \| commitdiff \| raw \| diff to current
2008-07-21	spoel	Changed bool to int in declaration of make_bonded_table	blob \| commitdiff \| raw \| diff to current
2008-07-01	carsten	Changed "t_edsamyn *edyn" to "gmx_edsam_t ed" in do_for...	blob \| commitdiff \| raw \| diff to current
2008-06-17	hess	implemented checkpointing for distance and orientation...	blob \| commitdiff \| raw \| diff to current
2008-06-11	hess	replaced all the booleans in the do_force call with...	blob \| commitdiff \| raw \| diff to current
2008-04-02	hess	added option to mdrun to print large forces	blob \| commitdiff \| raw \| diff to current
2008-03-11	hess	implemented screw pbc	blob \| commitdiff \| raw \| diff to current
2008-02-02	hess	removed a array from t_block for cgs and mols, renamed...	blob \| commitdiff \| raw \| diff to current
2007-06-13	lindahl	Reverted out the multilambda supported committed yesterday.	blob \| commitdiff \| raw \| diff to current
2007-06-12	lindahl	Initial multilambda support added, i.e. we can now...	blob \| commitdiff \| raw \| diff to current
2007-03-05	hess	added const for pointers	blob \| commitdiff \| raw \| diff to current
2007-02-13	hess	added pbc=xy and walls, added a separate mdp option...	blob \| commitdiff \| raw \| diff to current
2007-01-02	hess	removed the nsb struct and moved all the particle decom...	blob \| commitdiff \| raw \| diff to current
2006-12-08	hess	implemented tabulated bonded potentials	blob \| commitdiff \| raw \| diff to current
2006-11-10	hess	bVerbose is now also set on non-master nodes and remove...	blob \| commitdiff \| raw \| diff to current
2006-11-01	hess	implemented cycle counting for the main parts of mdrun	blob \| commitdiff \| raw \| diff to current
2006-08-17	hess	fixed the twin range and pme force arrays for DD	blob \| commitdiff \| raw \| diff to current
2006-08-16	hess	fixed double counting of exclusions with DD for Ewald...	blob \| commitdiff \| raw \| diff to current
2006-04-19	hess	made size of mdatoms variable and disabled each group...	blob \| commitdiff \| raw \| diff to current
2006-01-26	hess	made the domain decompostion a bit more efficient and...	blob \| commitdiff \| raw \| diff to current
2006-01-20	hess	implemented parallel replica exchange	blob \| commitdiff \| raw \| diff to current
2005-12-22	hess	first commit of my domain decomposition code	blob \| commitdiff \| raw \| diff to current
2005-08-29	lindahl	Added flooding patch to edsam from Oliver Lange.	blob \| commitdiff \| raw \| diff to current
2005-08-24	hess	implemented FE for disperion correction and updated...	blob \| commitdiff \| raw \| diff to current
2005-06-17	hess	The pair interactions now always use plain cut-off...	blob \| commitdiff \| raw \| diff to current
2005-06-06	hess	added epsilon_rf to the inputrec and forcerec and now...	blob \| commitdiff \| raw \| diff to current
2005-03-01	hess	implemented test particle insertion, activated the...	blob \| commitdiff \| raw \| diff to current
2004-12-26	lindahl	Updated 1,4 interaction wrapper routine.	blob \| commitdiff \| raw \| diff to current
2004-08-23	hess	Removed the static data in pbc_dx by adding a t_pbc...	blob \| commitdiff \| raw \| diff to current
2004-08-19	hess	removed forcerec and the energy groups for do_14 from...	blob \| commitdiff \| raw \| diff to current
2004-08-10	hess	added reaction-field correction for excluded atom pairs...	blob \| commitdiff \| raw \| diff to current
2004-06-23	hess	removed chargeT from mdatoms and added fatal_error...	blob \| commitdiff \| raw \| diff to current
2004-06-17	hess	changed average c6 and c12 calculation to a half sum...	blob \| commitdiff \| raw \| diff to current
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