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Redefine the default boolean type to gmx_bool.
[alexxy/gromacs.git]
/
src
/
gmxlib
/
ifunc.c
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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2004-12-26
lindahl
Introduced separate function for 1,4 nonbonded interact...
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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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2004-08-19
hess
removed forcerec and the energy groups for do_14 from...
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2004-08-10
hess
added reaction-field correction for excluded atom pairs...
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2004-01-23
lindahl
Added conditional inclusion of config.h to source files.
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2004-01-20
spoel
Fixed error in the defintion of polarization
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2004-01-18
spoel
More bugfixes. Shell code seems to work again.
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2004-01-17
spoel
First real implementation of Urey-Bradley function...
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2004-01-16
spoel
Fixed tpxio problems, added urey_bradley code.
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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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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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2002-04-11
hess
reverted back to 1.34, now angles and dihedrals are...
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2002-03-28
hess
made def_bonded IF_GRAPH, all bonded interactions are...
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2002-03-28
hess
replaced IF_CONNECT by IF_GRAPH and IF_CHEMBOND
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2002-03-28
spoel
Fixed SEGV bug in disres, due to the fact that disres...
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2002-02-28
spoel
Updated copyrgt wrapper
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2002-02-22
hess
made settles connect and made the code in mshift.c...
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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
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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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