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

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

[alexxy/gromacs.git] / src / gmxlib / bondfree.c

2010-08-25	Rossen Apostolov	Redefine the default boolean type to gmx_bool.	blob \| commitdiff \| raw
2010-07-26	Erik Lindahl	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-26	Per Larsson	Changes to allow more than one whitespace in the cmap...	blob \| commitdiff \| raw \| diff to current
2010-07-21	Erik Lindahl	Changes to enable Amber99	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
2010-02-01	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-31	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-30	Michael Shirts	A fix to compute_bonds_lambda - the value of nr_nonpert...	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
2010-01-11	Michael Shirts	Merge branch 'master' of git://git.gromacs.org/gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-11	Berk Hess	fixed compiler warning	blob \| commitdiff \| raw \| diff to current
2010-01-07	Michael Shirts	Merge branch 'master' of git://git.gromacs.org/gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-07	Berk	moved cmap_grid from mtop to ffparams and idef	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	Removed some legacy "#if 0" code.	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	Berk Hess	implemented restraint bonds	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
2010-01-03	Michael Shirts	fixes for handling periodicity for dihedral restraints.	blob \| commitdiff \| raw \| diff to current
2010-01-03	Michael Shirts	removed code that had been #ifdef'ed out.	blob \| commitdiff \| raw \| diff to current
2010-01-03	Michael Shirts	Fixed the issues with the restraint calculations.	blob \| commitdiff \| raw \| diff to current
2010-01-02	Michael Shirts	Revision of handling of foreign lambda bonds.	blob \| commitdiff \| raw \| diff to current
2010-01-01	Michael Shirts	More fixes for the multicomponent lambda.	blob \| commitdiff \| raw \| diff to current
2010-01-01	Michael Shirts	Latest revision of free energy changes.	blob \| commitdiff \| raw \| diff to current
2009-12-29	Michael Shirts	Free energy now apparently working with multilambda.	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
2009-12-17	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-15	Roland Schulz	Merge branch '2dpme' of git@git.gromacs.org:gromacs...	blob \| commitdiff \| raw \| diff to current
2009-12-15	Berk Hess	merged with master	blob \| commitdiff \| raw \| diff to current
2009-12-14	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-14	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-12	Erik Lindahl	Replaced acos-based method for calculating angles betwe...	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
2009-11-27	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	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
2009-10-08	Erik Lindahl	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-10-08	Berk Hess	fixed compiler warning	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
2009-09-03	Berk Hess	fixed compiler warnings	blob \| commitdiff \| raw \| diff to current
2009-08-30	kasson	Tool merge	blob \| commitdiff \| raw \| diff to current
2009-08-27	Per Larsson	Merge branch 'master' of git@git.gromacs.org:gromacs	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
2009-08-26	Erik Lindahl	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-08-26	Erik Lindahl	Changed invsqrt() to gmx_invsqrt() to accuracy loss...	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
2009-07-29	Carsten Kutzner	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-07-28	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-07-28	Berk Hess	fixed incorrect dHdl output for bondeds, introduced...	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
2009-05-08	lindahl	New routines for basic thread operations and atomic...	blob \| commitdiff \| raw \| diff to current
2009-04-21	lindahl	Initial CMAP support commit.	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
2008-08-11	hess	split the t_group struct into a gmx_ekindata_t struct...	blob \| commitdiff \| raw \| diff to current
2008-08-06	hess	added interaction type and table number to table out...	blob \| commitdiff \| raw \| diff to current
2008-06-17	hess	implemented checkpointing for distance and orientation...	blob \| commitdiff \| raw \| diff to current
2008-06-12	hess	changed atom number prints in bonded interactions to...	blob \| commitdiff \| raw \| diff to current
2008-05-15	hess	added the virial contribution for position restraints	blob \| commitdiff \| raw \| diff to current
2008-03-17	hess	implemented free-energy coupling options in grompp...	blob \| commitdiff \| raw \| diff to current
2008-03-07	hess	reorganized the pbc code, there is now an extra pbc_dx...	blob \| commitdiff \| raw \| diff to current
2008-03-04	hess	the position restraints no longer contribute to the...	blob \| commitdiff \| raw \| diff to current
2008-02-28	spoel	Added extra check for the existence of the fcd struct...	blob \| commitdiff \| raw \| diff to current
2008-01-16	hess	removed unnecessary pbc_rvec_sub in do_dih_fup with...	blob \| commitdiff \| raw \| diff to current
2007-11-28	hess	now forces are not calculated for angles where cos...	blob \| commitdiff \| raw \| diff to current
2007-11-28	spoel	Fixed new problems due to previous bugfixes relating...	blob \| commitdiff \| raw \| diff to current
2007-11-21	spoel	Fixed bugzilla 177	blob \| commitdiff \| raw \| diff to current
2007-10-24	spoel	Fixed bug 172	blob \| commitdiff \| raw \| diff to current
2007-09-05	hess	changed the order of the parameters of tabulated bonded...	blob \| commitdiff \| raw \| diff to current
2007-08-06	hess	renamed the function oprod (outer product) to cprod...	blob \| commitdiff \| raw \| diff to current
2007-06-28	hess	fixed bugs in the FENE potential and force	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
2007-04-21	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
2007-04-20	hess	fixed problem with DD and posres pbc	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
2007-01-04	hess	added an out of range check for tabulated bondeds	blob \| commitdiff \| raw \| diff to current
2006-12-08	hess	implemented tabulated bonded potentials	blob \| commitdiff \| raw \| diff to current
2006-09-06	spoel	Merged fix from 3.3	blob \| commitdiff \| raw \| diff to current
2006-04-19	lindahl	fatal.h clashes with system headers on AIX. Renamed...	blob \| commitdiff \| raw \| diff to current
2006-02-24	spoel	Removed fatal error preventing execution of urey_bradle...	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
2006-01-20	hess	implemented parallel replica exchange	blob \| commitdiff \| raw \| diff to current
2005-10-05	hess	added missing factor DEG2RAD in the dVdlambda contribut...	blob \| commitdiff \| raw \| diff to current
2005-09-03	spoel	SLghtly rewrote Thole	blob \| commitdiff \| raw \| diff to current
2005-08-16	spoel	Added some debug stuff for THole	blob \| commitdiff \| raw \| diff to current
2005-08-16	spoel	Fixed error in Thole potential due to error in the...	blob \| commitdiff \| raw \| diff to current
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