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Added two new bonded functions.
[alexxy/gromacs.git]
/
include
/
types
/
idef.h
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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2010-08-23
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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2010-08-18
Michael Shirts
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2010-08-18
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-18
Erik Lindahl
Fix to write GB and surface energy to separate terms...
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2010-07-29
Christoph Junghans
Merge branch 'master' of git://git.gromacs.org/gromacs
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2010-07-28
Christoph Junghans
Merge branch 'master' of git://git.gromacs.org/gromacs
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2010-07-28
Christoph Junghans
fixed rest of include typos in headers
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2010-06-18
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-06-17
Maarten Wolf
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-11
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-06-10
Erik Marklund
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-10
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-10
Berk Hess
added more explanation to idef.h
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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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2010-02-18
Berk
added generating host to checkpoint file and once more...
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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
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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2010-01-04
Michael Shirts
No longer need to specify fep-lambda every time --...
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2010-01-03
Michael Shirts
Fixed the issues with the restraint calculations.
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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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2009-12-22
Michael Shirts
fixing order of DISPCORR and PRES
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2009-12-22
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-21
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-21
Berk
made tpx files backward compatible again
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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
Committing to merge
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2009-12-19
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-17
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-06
Erik Lindahl
Merge branch 'release-4-0-patches' of git.gromacs.org...
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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
Sander Pronk
C++ fixes: fixed 'extern "C"' in header files m-z.
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2009-11-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-19
Berk Hess
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-15
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-12
Berk
fixed distance restraints when present in multiplenolec...
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2009-11-12
Berk
fixed distance restraints when present in multiple...
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2009-10-25
Michael Shirts
Made changes suggested by Berk.
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2009-09-26
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-09-23
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-09-18
Michael Shirts
A number of changes to try to rationalize constraints...
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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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2009-09-02
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-08-31
Erik Lindahl
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-08-31
Erik Lindahl
Changes to have GB detect 1-2,1-3,1-4 params from exclu...
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2009-08-21
Sander Pronk
Merge branch 'thread_mpi'. Threads should work for...
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2009-06-22
Berk Hess
added the repulsion power to the tpr file and added...
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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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2009-03-30
hess
renamed dgdl to dhdl
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2009-02-02
lindahl
Fixed some minor compile warnings/errors in double...
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2009-01-30
lindahl
Initial commit of generalized born electrostatics....
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2008-08-05
hess
t_topology is now partially replaced by gmx_mtop_t...
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2008-06-11
hess
added ilist sorting to put free energy bondeds at the...
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2008-06-10
lindahl
Added index to separate perturbed/nonperturbed bonded...
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2008-03-17
hess
implemented free-energy coupling options in grompp...
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2008-01-22
hess
added parameter n for vsiten
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2008-01-04
hess
merged vsite_cog and vsite_com into vsiten
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2008-01-04
hess
implemented COG and COM vsites
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2007-10-01
lindahl
Added new 4FDN vsite type that should be more stable...
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2007-09-05
hess
changed the order of the parameters of tabulated bonded...
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2007-07-03
hess
added constant force pulling and many small checks...
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2007-04-18
hess
mdrun now print the conserved energy for NVT Nose-Hoove...
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2006-12-14
hess
removed the multinr arrays from the ilist and block...
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2006-12-08
hess
implemented tabulated bonded potentials
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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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2006-02-03
hess
added two new pair types for free-energy decoupling...
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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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2004-12-14
hess
renamed all dummy/dummies to vsite/vsites in all filena...
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2004-08-10
hess
added reaction-field correction for excluded atom pairs...
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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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2003-05-28
hess
position restraints force constants and positions can...
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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
Implemented free energy for Ryckaert-Bellemans so we...
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2002-03-13
hess
changed pow in orires t_iparams to power to avoid probl...
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2002-02-28
spoel
Updated copyrgt
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2002-02-01
hess
Changed the term violation for orientation restraints...
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2002-01-25
hess
added orientation restraints, extended the energy file...
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2001-05-14
lindahl
Tagged files with gromacs 3.0 header and added some...
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