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

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

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

2012-11-29	Mark Abraham	Update copyright statements and change license to LGPL	blob \| commitdiff \| raw
2012-11-27	Roland Schulz	Add visibility defines	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
2010-07-29	Erik Lindahl	Worked around cross-inclusion problem between grompp...	blob \| commitdiff \| raw \| diff to current
2010-06-09	Gerrit Groenhof	Merge branch 'master' into qmmm	blob \| commitdiff \| raw \| diff to current
2010-05-19	Teemu Murtola	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-16	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-16	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-02	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-04-27	Berk Hess	resolved merge conflicts	blob \| commitdiff \| raw \| diff to current
2010-04-12	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-04-12	David van der Spoel	Changed the output of topology files to include the...	blob \| commitdiff \| raw \| diff to current
2010-04-04	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-03-27	Berk	pdb2gmx now prints original residue names instead of...	blob \| commitdiff \| raw \| diff to current
2010-03-02	Roland Schulz	Merge branch 'release-4-0-patches'	blob \| commitdiff \| raw \| diff to current
2010-01-27	Berk Hess	pdb2gmx now detects and reads force field files from...	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
2009-12-05	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
2009-06-04	Erik Lindahl	Removed Id tags from master branch since they will...	blob \| commitdiff \| raw \| diff to current
2009-06-03	lindahl	Fixed warnings when GNU C++ 4.3 is used.	blob \| commitdiff \| raw \| diff to current
2009-06-03	hess	updated for C++ compilation	blob \| commitdiff \| raw \| diff to current
2009-06-03	teemu	Improved compilation (no errors, less warnings) of...	blob \| commitdiff \| raw \| diff to current
2009-04-27	per	Fixed a bug that made d_cmap==d_orientational_restraints	blob \| commitdiff \| raw \| diff to current
2009-04-21	lindahl	Initial CMAP support commit.	blob \| commitdiff \| raw \| diff to current
2009-01-30	lindahl	Initial commit of generalized born electrostatics....	blob \| commitdiff \| raw \| diff to current
2008-12-26	spoel	Added maxnr variable	blob \| commitdiff \| raw \| diff to current
2008-11-14	spoel	Moved function definition for write_top here	blob \| commitdiff \| raw \| diff to current
2008-06-12	spoel	Moved new x2top to contrib and renamed to gentop. Reins...	blob \| commitdiff \| raw \| diff to current
2008-03-17	hess	implemented free-energy coupling options in grompp...	blob \| commitdiff \| raw \| diff to current
2008-02-03	spoel	Abstracted the t_atomtype and t_bon_atomtype data types,	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
2008-01-04	hess	merged vsite_cog and vsite_com into vsiten	blob \| commitdiff \| raw \| diff to current
2008-01-04	hess	implemented COG and COM vsites	blob \| commitdiff \| raw \| diff to current
2007-09-07	spoel	Added define	blob \| commitdiff \| raw \| diff to current
2006-03-24	hess	implemented proper local topologies for domain decompos...	blob \| commitdiff \| raw \| diff to current
2005-09-20	lindahl	Merged in latest QM/MM changes from release-3-3-patches...	blob \| commitdiff \| raw \| diff to current
2005-06-03	spoel	Added a new polarization type: Thole polarization for...	blob \| commitdiff \| raw \| diff to current
2004-12-14	hess	renamed all dummy/dummies to vsite/vsites in all filena...	blob \| commitdiff \| raw \| diff to current
2004-10-21	hess	fixed problems which caused pairtypes not to work when...	blob \| commitdiff \| raw \| diff to current
2004-09-29	hess	added check for redefinition of moleculetypes, removed...	blob \| commitdiff \| raw \| diff to current
2004-01-17	spoel	First real implementation of Urey-Bradley function...	blob \| commitdiff \| raw \| diff to current
2004-01-15	spoel	Added new functions in the bondf code.	blob \| commitdiff \| raw \| diff to current
2003-11-17	spoel	Upped the version to 3.2.0	blob \| commitdiff \| raw \| diff to current
2002-11-06	lindahl	Partial commit of the project to remove all static...	blob \| commitdiff \| raw \| diff to current
2002-06-25	lindahl	Fixed a bug in the pdb-writing code.	blob \| commitdiff \| raw \| diff to current
2002-06-12	lindahl	Fixed mass distribution bug in dummy generation routines.	blob \| commitdiff \| raw \| diff to current
2002-05-02	lindahl	Implemented support for separate atom types for bonded...	blob \| commitdiff \| raw \| diff to current
2002-04-11	hess	grompp can now parse topologies with atomtypes, nonbond...	blob \| commitdiff \| raw \| diff to current
2002-04-04	hess	added a fatal error for parameters definitions appearin...	blob \| commitdiff \| raw \| diff to current
2002-02-28	spoel	Updated copyrgt	blob \| commitdiff \| raw \| diff to current
2002-01-25	hess	added orientation restraints, extended the energy file...	blob \| commitdiff \| raw \| diff to current
2001-05-14	lindahl	Fixed the files where the header tagging introduced...	blob \| commitdiff \| raw \| diff to current
2001-05-14	lindahl	Tagged files with gromacs 3.0 header and added some...	blob \| commitdiff \| raw \| diff to current
2001-03-02	lindahl	Transfer of the entire build system to autoconf/automake.	blob \| commitdiff \| raw \| diff to current
2000-06-20	hess	changed MAXSLEN from 16 to 32	blob \| commitdiff \| raw \| diff to current
2000-06-08	hess	added [exclusions] to the rtp format	blob \| commitdiff \| raw \| diff to current
2000-04-24	spoel	Increased string len in params type. Couldn't read...	blob \| commitdiff \| raw \| diff to current
2000-03-31	spoel	Fixed bugs in pdb2gmx (bonds handling) which only showe...	blob \| commitdiff \| raw \| diff to current
1999-11-03	hess	copyrgted	blob \| commitdiff \| raw \| diff to current
1999-06-04	hess	added angle restraints	blob \| commitdiff \| raw \| diff to current
1999-06-04	anton	added constrainttypes	blob \| commitdiff \| raw \| diff to current
1999-03-10	hess	extended the .rtp format to support Gromos96	blob \| commitdiff \| raw \| diff to current
1999-02-12	anton	moved directive from grompp.h names to topdirs.c	blob \| commitdiff \| raw \| diff to current
1999-02-03	hess	renamed and added dummies and changed a lot of NMR...	blob \| commitdiff \| raw \| diff to current
1998-08-05	anton	added d_dum1	blob \| commitdiff \| raw \| diff to current
1998-03-06	spoel	Added prototype for convert_harmonics	blob \| commitdiff \| raw \| diff to current
1997-12-23	anton	Edited by Copyright -> 2.0	blob \| commitdiff \| raw \| diff to current
1997-11-27	anton	Edited by copyrgt -> v1.6; fixed loads of inconsistent...	blob \| commitdiff \| raw \| diff to current
1997-11-03	spoel	Initial revision	blob \| commitdiff \| raw \| diff to current

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