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Update copyright statements and change license to LGPL
[alexxy/gromacs.git]
/
src
/
kernel
/
toputil.c
2012-11-29
Mark Abraham
Update copyright statements and change license to LGPL
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2012-11-26
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-11-20
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-11-03
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-10-01
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-09-03
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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2012-07-13
Roland Schulz
Merge release-4.5-patches into HEAD
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2012-06-01
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-05-07
Teemu Murtola
Merge branch 'gerrit/release-4-5-patches' into release-4-6
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2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-04-26
Berk Hess
Merge release-4-5-patches into release-4-6
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2012-04-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-03-28
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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2012-03-21
Roland Schulz
Removing unused code
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2011-01-30
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
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2010-06-09
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-04-27
Berk Hess
resolved merge conflicts
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2010-04-17
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-04-08
Pär Bjelkmar
Merge branch 'master' of git.gromacs.org:gromacs
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2010-04-06
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-04-06
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-04-06
Berk Hess
corrected pdb2gmx rtp print conditional
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2010-04-04
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-03-27
Berk
pdb2gmx now prints original residue names instead of...
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2010-03-12
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-03-10
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-03-10
David van der Spoel
Added routine add_t_atoms to increase the length of...
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2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
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2009-09-23
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-09-14
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-09-14
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2009-09-14
David van der Spoel
Made statistics work with only 1 data point
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2009-06-04
Erik Lindahl
Removed Id tags from master branch since they will...
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2009-06-03
hess
updated for C++ compilation
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2009-06-03
teemu
Improved compilation (no errors, less warnings) of...
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2009-04-21
lindahl
Initial CMAP support commit.
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2009-03-06
hess
added t_resinfo struct to t_atoms which contains the...
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2009-01-30
lindahl
Initial commit of generalized born electrostatics....
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2008-12-21
spoel
Fiexed SEGV due to new allocation algorithm for parameters
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2008-11-14
spoel
Moved and renamed function copy_param
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2008-02-03
spoel
Abstracted the t_atomtype and t_bon_atomtype data types,
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2008-02-02
hess
removed a array from t_block for cgs and mols, renamed...
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2007-10-01
lindahl
Added new 4FDN vsite type that should be more stable...
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2007-09-06
spoel
Fixed bug in parsing dihedrals
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2006-05-05
spoel
Merged in stuff from 3.3
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2006-04-19
lindahl
fatal.h clashes with system headers on AIX. Renamed...
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2006-04-05
hess
implemented parallel LINCS
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2006-03-24
hess
implemented proper local topologies for domain decompos...
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2004-12-14
hess
renamed all dummy/dummies to vsite/vsites in all filena...
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2004-09-06
spoel
Replaced the fatal_error routine by a more flexible...
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2004-01-23
lindahl
Added conditional inclusion of config.h to source files.
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2004-01-15
spoel
Added new functions in the bondf code.
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2004-01-09
spoel
Added two new functions for bonded energy terms, a...
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2003-11-17
spoel
Upped the version to 3.2.0
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2002-11-06
lindahl
Partial commit of the project to remove all static...
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2002-06-12
lindahl
Fixed mass distribution bug in dummy generation routines.
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2002-06-07
lindahl
Changed atom type renumbering to merge types with ident...
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2002-05-02
lindahl
Implemented support for separate atom types for bonded...
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2002-02-28
spoel
Updated copyrght header
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2002-01-25
hess
added orientation restraints, extended the energy file...
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2001-08-17
anton
print rounded qtot and reset qtot to zero on threshold...
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2001-07-23
lindahl
Fixed several compiler warnings, and a bug in PME that...
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2001-06-29
anton
add charges in double precision
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2001-05-14
lindahl
Tagged files with gromacs 3.0 header
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2001-05-09
hess
changed printf %u to %d because of atom_id change,...
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2001-03-29
hess
added 3 new bond types and F_EQM
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2001-03-28
hess
added bondtype 5 which has no potential
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2000-06-08
hess
added [exclusions] to the rtp format
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2000-04-19
hess
put cubic bond stuff between ifdef USE_CUBICBONDS
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2000-04-06
spoel
Added a new bond stretching potential. Too bad one...
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2000-03-31
spoel
Fixed bugs in pdb2gmx (bonds handling) which only showe...
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1999-11-03
hess
copyrgted
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1999-06-22
hess
fixed a lot of memory problems
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1999-06-04
anton
added F_SHAKENC
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1999-03-20
spoel
Fixed allocation problems in grompp.
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1999-03-19
hess
changed some things back that David changed in the...
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1999-03-18
spoel
Fixed pdb2gmx.
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1999-03-18
spoel
Fixing more stuff in pdb2gmx. Not yet finished though
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1999-03-12
anton
condensed format of .top file
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1999-03-10
hess
extended the .rtp format to support Gromos96
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1999-03-09
spoel
*** empty log message ***
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1999-03-03
spoel
Cleaned up code. Took away sources of compiler warnings...
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1999-02-25
anton
added negative functype for some dummies to swap constr...
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1999-02-03
hess
renamed and added dummies and changed a lot of NMR...
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1999-01-26
anton
removed unused vars and bad formats
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1998-08-20
anton
changed t_block *cgs to int *cgnr
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1998-08-05
anton
F_DUMMY2FD & FAD; added check to print excl; renamed...
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1998-03-05
anton
removed unused vars, implicit type conversions and...
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1997-12-23
spoel
New file formats
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1997-12-23
anton
Edited by Copyright -> 2.0
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1997-11-27
anton
Edited by copyrgt -> v1.6; fixed loads of inconsistent...
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1997-11-03
spoel
Initial revision
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biod.pnpi.spb.ru / alexxy / gromacs.git / history