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added Verlet scheme and NxN non-bonded functionality
[alexxy/gromacs.git]
/
include
/
bondf.h
2012-10-02
Szilard Pall
added Verlet scheme and NxN non-bonded functionality
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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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2012-06-04
Michael Shirts
Merging in free energy, exp. ensemble, & andersen t...
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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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2012-03-16
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-02-29
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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2012-02-23
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-02-08
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-02-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-01-25
Roland Schulz
Merge "Merge release-4-5-patches into release-4-6"...
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2012-01-25
Berk Hess
Merge "Added two new bonded functions." into release-4-6
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2012-01-25
David van der Spoel
Added two new bonded functions.
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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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2010-08-23
Rossen Apostolov
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-22
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-22
Erik Lindahl
Cleaned up all installed headers to remove strict depen...
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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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2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
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2010-01-19
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-07
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
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2010-01-07
Berk
moved cmap_grid from mtop to ffparams and idef
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2010-01-05
Roland Schulz
Undo Michael's accidental commits with:
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2010-01-04
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-04
Berk Hess
implemented restraint bonds
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2010-01-02
Michael Shirts
Revision of handling of foreign lambda bonds.
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2010-01-01
Michael Shirts
Latest revision of free energy changes.
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2009-12-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-23
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-20
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-19
Michael Shirts
commiting to merge.
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2009-12-17
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-15
Roland Schulz
Merge branch '2dpme' of git@git.gromacs.org:gromacs...
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2009-12-15
Berk Hess
merged with master
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2009-12-14
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-14
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-12
Erik Lindahl
Replaced acos-based method for calculating angles betwe...
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2009-12-05
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-30
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-27
Roland Schulz
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-27
Roland Schulz
C++ fixes part2; extern C fixes in header files a*...
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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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2009-09-09
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
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2009-09-09
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2009-09-07
Roland Schulz
renamed gmx_step_t to gmx_large_int_t. gmx_large_int_t...
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2009-08-21
Sander Pronk
Merge branch 'thread_mpi'. Threads should work for...
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2009-07-16
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-07-16
kasson
PK all instances of CPLUSPLUS #define changed to standa...
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2009-06-04
Erik Lindahl
Removed Id tags from master branch since they will...
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2009-04-21
lindahl
Initial CMAP support commit.
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2009-03-27
hess
implemented foreign lambda free energy difference code
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2009-02-02
hess
changed most step count variables from int to gmx_step_t
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2009-01-30
lindahl
Initial commit of generalized born electrostatics....
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2008-08-11
hess
split the t_group struct into a gmx_ekindata_t struct...
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2008-06-17
hess
implemented checkpointing for distance and orientation...
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2008-06-12
hess
changed atom number prints in bonded interactions to...
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2008-05-15
hess
added the virial contribution for position restraints
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2008-03-04
hess
the position restraints no longer contribute to the...
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2007-06-13
lindahl
Reverted out the multilambda supported committed yesterday.
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2007-06-12
lindahl
Initial multilambda support added, i.e. we can now...
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2007-04-21
hess
implemented two new scaling options for the posres...
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2007-04-20
hess
fixed problem with DD and posres pbc
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2006-12-08
hess
implemented tabulated bonded potentials
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2006-02-03
hess
added two new pair types for free-energy decoupling...
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2006-01-20
hess
implemented parallel replica exchange
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2005-06-03
spoel
Added a new polarization type: Thole polarization for...
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2004-12-15
hess
added FENE bond and quartic angle potentials and slight...
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2004-08-23
hess
Removed the static data in pbc_dx by adding a t_pbc...
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2004-08-19
hess
removed forcerec and the energy groups for do_14 from...
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2004-08-18
hess
made all read-only pointers in bonded force function...
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2004-01-17
spoel
First real implementation of Urey-Bradley function...
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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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2003-09-07
spoel
Fixed water bug, added infinite systems support, and...
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2002-11-06
lindahl
Partial commit of the project to remove all static...
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2002-02-28
spoel
Updated copyrgt
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2002-01-31
hess
removed the global cr_msim struct by adding a commrec...
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2002-01-25
hess
added orientation restraints, extended the energy file...
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2001-06-14
hess
added hidden option -sepdvdl to mdrun
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2001-05-14
lindahl
Tagged files with gromacs 3.0 header and added some...
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2001-03-02
lindahl
Transfer of the entire build system to autoconf/automake.
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2000-09-14
hess
Committed the new innerloops for Erik Lindahl
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2000-04-06
spoel
Added a new bond stretching potential. Too bad one...
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1999-11-03
hess
copyrgted
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1999-07-20
hess
added some necessary for bondfree parameters again
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1999-07-20
hess
removed 5 unused vars in all bondfree function calls
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1999-06-04
hess
added angle restraints
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1999-03-09
spoel
*** empty log message ***
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