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Fixing copyright issues and code contributors
[alexxy/gromacs.git]
/
src
/
gmxlib
/
orires.c
2013-01-18
Mark Abraham
Fixing copyright issues and code contributors
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2013-01-17
Mark Abraham
Merge branch 'release-4-5-patches' into release-4-6
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2013-01-16
Mark Abraham
Quiet stderr output, particularly for multi-simulations
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2013-01-11
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-11-29
Mark Abraham
Update copyright statements and change license to LGPL
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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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2010-07-10
Michael Shirts
Fixed minor formatting conflict.
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2010-07-02
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-01
Sander Pronk
More thread safety fixes in gmxlib.
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2010-06-09
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
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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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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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2009-12-21
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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2009-12-17
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-17
Berk Hess
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-17
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-16
Roland Schulz
Merge commit 'origin/master' into 2dpme
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2009-12-16
unknown
Fixed name clashes with pre-defined names in our favori...
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2009-09-09
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
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2009-08-30
kasson
Tool merge
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2009-08-27
Per Larsson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-08-27
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-08-26
Erik Lindahl
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-08-26
Erik Lindahl
Changed invsqrt() to gmx_invsqrt() to accuracy loss...
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2009-06-04
Erik Lindahl
Removed Id tags from master branch since they will...
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2008-08-05
hess
t_topology is now partially replaced by gmx_mtop_t...
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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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2008-03-07
hess
reorganized the pbc code, there is now an extra pbc_dx...
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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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2007-05-02
hess
added xy only translational and rotational fit
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2006-04-19
hess
made size of mdatoms variable and disabled each group...
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2006-03-28
hess
fixed bug where with multiple orires experiments always...
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2006-01-20
hess
implemented parallel replica exchange
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2004-08-25
hess
added multi-check for nsteps
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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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2004-08-12
hess
Without pbc mdrun now does not use the graph. Fixed...
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2004-06-11
hess
added the orientation restraint tensor to the energy...
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2004-04-22
hess
added info about -multi and NMR refinement to the descr...
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2004-01-23
lindahl
Added conditional inclusion of config.h to source files.
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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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2002-03-13
hess
changed pow in orires t_iparams to power to avoid probl...
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2002-03-12
hess
now com used for fitting is set to zero before calculat...
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2002-02-28
spoel
Updated copyrgt wrapper
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2002-02-21
hess
moved fprintf for the fit group out of if (mcr)
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2002-02-18
hess
added a fit group for orientation restraining to fix...
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2002-02-01
hess
Changed the term violation for orientation restraints...
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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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biod.pnpi.spb.ru / alexxy / gromacs.git / history