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Update copyright statements and change license to LGPL
[alexxy/gromacs.git]
/
src
/
gmxlib
/
ifunc.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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2012-06-04
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
David van der Spoel
Merge "changed number of iatoms for F_SETTLE from 1...
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2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-04-27
Berk Hess
changed number of iatoms for F_SETTLE from 1 to 3
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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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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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2010-09-17
Berk Hess
fixed free-energy giving a fatal-error when GB12, GB13...
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2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
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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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2010-06-09
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-04-27
Berk Hess
resolved merge conflicts
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2010-03-12
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-03-11
Berk Hess
shortened too long energy names in md.log
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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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2010-01-26
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-01-26
Per Larsson
Merge branch 'master' of git.gromacs.org:gromacs
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2010-01-26
Berk Hess
shortened too long names for GB bondeds
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2010-01-19
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-13
Carsten Kutzner
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-11
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
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
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2010-01-05
Berk Hess
renamed restr. bond to restraint pot.
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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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2009-12-23
Michael Shirts
Fixed pressure dispersion correction order.
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2009-12-23
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-23
Berk
fixed the order in ifunc
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2009-12-22
Michael Shirts
fixing order of DISPCORR and PRES
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2009-12-21
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-20
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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2009-12-05
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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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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2009-09-09
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
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2009-09-07
Michael Shirts
A number of changes to gromacs_mrs. Almost working...
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2009-08-21
Sander Pronk
Merge branch 'thread_mpi'. Threads should work for...
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2009-07-04
Sander Pronk
file names now const correct; builds in C++
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2009-06-24
Sander Pronk
Merge branch 'thread_mpi' of git@git.gromacs.org:gromac...
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2009-06-24
Sander Pronk
Many thread-safety fixes in mdlib; better error reporti...
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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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2009-02-04
hess
energy file format change: energy averages are now...
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2009-02-02
lindahl
Second round of generalized born commit. There is now...
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2009-01-30
lindahl
Initial commit of generalized born electrostatics....
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2008-06-17
hess
implemented checkpointing for distance and orientation...
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2008-03-17
hess
implemented free-energy coupling options in grompp...
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2008-03-04
hess
added -ddbc option to control the check for all bonded...
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2008-02-13
hess
removed IF_BTYPE from TABBONDS
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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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2007-04-21
hess
implemented two new scaling options for the posres...
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2007-04-18
hess
mdrun now print the conserved energy for NVT Nose-Hoove...
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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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2005-08-31
hess
The last fixes for graphs not fully connected by normal...
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2005-08-30
hess
fixed an ancient bug in the graph code that caused...
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2005-06-03
spoel
Added a new polarization type: Thole polarization for...
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