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Update copyright statements and change license to LGPL
[alexxy/gromacs.git]
/
src
/
mdlib
/
qmmm.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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2012-11-08
Christoph Junghans
Merge "auto-set nvcc host compiler with FindMPI detecti...
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2012-11-08
Erik Lindahl
Infrastructure for new group kernels, and new C kernels
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2012-11-03
Roland Schulz
Merge release-4-5-patches into release-4-6
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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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2012-06-01
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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2012-03-21
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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2012-02-21
Christoph Junghans
Merge "changed default epsilon-rf value to 0" into...
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2012-02-19
Berk Hess
Merge "Generate warnings for QMMM usage" into release-4-6
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2012-02-15
Gerrit Groenhof
Generate warnings for QMMM usage
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2011-01-30
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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2010-06-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-24
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-24
Berk Hess
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-23
Gerrit Groenhof
Merge branch 'master' into qmmm
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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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2010-06-17
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-16
kasson
Merge branch 'mymaster'
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2010-06-12
David van der Spoel
Fixed a lot of spelling errors in comments and document...
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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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2009-12-05
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-27
Michael Shirts
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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2009-11-11
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-11
Berk
made CG neighbor lists switchable with an env.var.
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2009-10-06
Gerrit Groenhof
ORCA interface
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2009-06-04
Erik Lindahl
Removed Id tags from master branch since they will...
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2009-04-24
hess
fixed incorrect shifts when QM atoms were in charge...
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2009-04-23
hess
fixed incorrect shifts when QM atoms were in charge...
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2009-02-09
spoel
Changed BORH to BOHR
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2008-08-27
hess
QMMM fixed of Gerrit
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2008-08-12
hess
some more qmmm gmx_mtop_t fixes
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2008-08-12
hess
fixed a bug introduced in the gmx_mtop_t commit
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2008-08-12
hess
introced a new structure for the local topology in...
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2008-08-05
hess
t_topology is now partially replaced by gmx_mtop_t...
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2008-03-07
hess
reorganized the pbc code, there is now an extra pbc_dx...
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2008-02-02
hess
removed a array from t_block for cgs and mols, renamed...
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2007-01-02
hess
removed the nsb struct and moved all the particle decom...
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2006-08-30
spoel
Fixed compilation warnings and errors.
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2006-04-19
lindahl
Fixed errors from merge with release branch.
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2006-04-19
lindahl
fatal.h clashes with system headers on AIX. Renamed...
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2006-04-19
hess
made size of mdatoms variable and disabled each group...
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2006-03-24
hess
implemented proper local topologies for domain decompos...
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2005-09-20
lindahl
Merged in latest QM/MM changes from release-3-3-patches...
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2005-09-02
lindahl
Added QM-MM neighborsearching - untested!
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