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

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

[alexxy/gromacs.git] / include / types / forcerec.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
2010-08-17	Michael Shirts	Merge branch 'release-4-5-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2010-08-10	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-09	Berk	added exclusion check for cg-cg innerloops	blob \| commitdiff \| raw \| diff to current
2010-08-06	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-05	Berk Hess	sc_sigma now also sets the minimum value for the soft...	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
2010-07-26	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
2010-07-25	Erik Lindahl	Resolved merge conflict	blob \| commitdiff \| raw \| diff to current
2010-07-25	Erik Lindahl	Fixed bug for small systems in all-vs-all kernels,...	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
2010-01-04	Michael Shirts	No longer need to specify fep-lambda every time --...	blob \| commitdiff \| raw \| diff to current
2010-01-01	Michael Shirts	Latest revision of free energy changes.	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	Sander Pronk	C++ fixes: fixed 'extern "C"' in header files m-z.	blob \| commitdiff \| raw \| diff to current
2009-11-27	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-11-15	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-11-11	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-11-11	Berk	made CG neighbor lists switchable with an env.var.	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
2009-09-14	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
2009-09-12	Roland Schulz	Merge branch 'master' of git@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
2009-09-09	Erik Lindahl	New all-vs-all loops and working SSE gb kernels+radii...	blob \| commitdiff \| raw \| diff to current
2009-08-31	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-08-30	kasson	Tool merge	blob \| commitdiff \| raw \| diff to current
2009-08-30	Erik Lindahl	Initial all-vs-all kernels. Single precision SSE working.	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
2009-08-19	Sander Pronk	Ewald now thread-safe (and fails in the same binary...	blob \| commitdiff \| raw \| diff to current
2009-08-11	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-08-06	Berk Hess	removed dhdl_lr from forcerec, no longer needed with...	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
2009-07-10	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-07-05	Erik Lindahl	Added separate gb_epsilon to nonbonded kernels	blob \| commitdiff \| raw \| diff to current
2009-06-24	Sander Pronk	Merge branch 'thread_mpi' of git@git.gromacs.org:gromac...	blob \| commitdiff \| raw \| diff to current
2009-06-24	Sander Pronk	Many thread-safety fixes in mdlib; better error reporti...	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
2009-06-15	Berk Hess	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-06-15	Berk Hess	changed the global cginfo array to an array per molecul...	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
2009-04-02	kasson	PK committing patches from Per Larsson for nb kernels.	blob \| commitdiff \| raw \| diff to current
2009-03-31	hess	removed erronous contribution of walls to the off-diago...	blob \| commitdiff \| raw \| diff to current
2009-03-31	hess	removed erronous contribution of walls to the off-diago...	blob \| commitdiff \| raw \| diff to current
2009-03-27	hess	implemented foreign lambda free energy difference code	blob \| commitdiff \| raw \| diff to current
2009-01-31	hess	fixed missing LR contribution with twin-range to dvdl...	blob \| commitdiff \| raw \| diff to current
2009-01-31	hess	fixed missing LR contribution with twin-range to dvdl...	blob \| commitdiff \| raw \| diff to current
2009-01-30	lindahl	Added entry for allocated size of dadx to genborn struc...	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
2008-11-23	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	implemented special bonded atom communication when...	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
2008-05-15	hess	added the virial contribution for position restraints	blob \| commitdiff \| raw \| diff to current
2008-04-02	hess	added option to mdrun to print large forces	blob \| commitdiff \| raw \| diff to current
2008-03-04	hess	the position restraints no longer contribute to the...	blob \| commitdiff \| raw \| diff to current
2007-05-24	hess	fixed the algorithm for determining the number of grid...	blob \| commitdiff \| raw \| diff to current
2007-05-18	hess	replaced fr->solvent_opt by fr->cginfo, which also...	blob \| commitdiff \| raw \| diff to current
2007-05-09	hess	removed all static variables from ns.c and put put...	blob \| commitdiff \| raw \| diff to current
2007-04-21	hess	changed refcoord_scaling=COM from boxcenter of real COM	blob \| commitdiff \| raw \| diff to current
2007-04-21	hess	implemented two new scaling options for the posres...	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
2007-01-29	hess	added integrator tpic and fixed bugs for tpi with more...	blob \| commitdiff \| raw \| diff to current
2007-01-03	hess	made f, buf and fr->cg_cm dynamic with domain decomposition	blob \| commitdiff \| raw \| diff to current
2006-08-17	hess	Finally corrected the problem with DD and PME, which...	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
2006-03-24	hess	implemented proper local topologies for domain decompos...	blob \| commitdiff \| raw \| diff to current
2006-02-03	hess	added two new pair types for free-energy decoupling...	blob \| commitdiff \| raw \| diff to current
2006-01-03	spoel	Fixed compilation.	blob \| commitdiff \| raw \| diff to current
2006-01-03	spoel	Did a large clean up of unused functions etc.	blob \| commitdiff \| raw \| diff to current
2005-09-02	lindahl	Last part of the QM-MM patch.	blob \| commitdiff \| raw \| diff to current
2005-08-30	hess	implemented support for different lambda powers in...	blob \| commitdiff \| raw \| diff to current
2005-08-24	hess	implemented FE for disperion correction and updated...	blob \| commitdiff \| raw \| diff to current
2005-06-06	hess	added epsilon_rf to the inputrec and forcerec and now...	blob \| commitdiff \| raw \| diff to current
2005-05-19	hess	implemented seperate user tables for selected pairs...	blob \| commitdiff \| raw \| diff to current
2005-03-01	hess	implemented test particle insertion, activated the...	blob \| commitdiff \| raw \| diff to current
next

Local GROMACS mirror with custom stuff

RSS Atom