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added Verlet scheme and NxN non-bonded functionality
[alexxy/gromacs.git]
/
src
/
mdlib
/
edsam.c
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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2012-09-24
Kasson
Merge "Fixed segfault with FE code for older tpr files...
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2012-09-10
Roland Schulz
Merge "Update use of CPack components and add install...
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2012-09-07
Christoph Junghans
Merge "Fix VMD plugins on Windows" into release-4-6
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2012-09-04
Christoph Junghans
Merge "Fixes too many backup files for *.nroff files...
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2012-09-03
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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2012-08-07
Christoph Junghans
Merge "fixed incorrect TPI results with dynamic box...
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2012-08-07
Carsten Kutzner
Fixed essential dynamics / flooding group PBC serial
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2012-08-06
Christoph Junghans
Merge "Added comment in get_structure about which struc...
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2012-08-06
Carsten Kutzner
Fixed calculation of projection for STAR and/or SORI
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2012-08-04
Roland Schulz
Merge "Fixed segv in essential dynamics module" into...
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2012-08-03
Carsten Kutzner
Fixed segv in essential dynamics module
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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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2012-03-16
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-03-15
Roland Schulz
Fix most errors found by cppcheck
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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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2012-01-19
Roland Schulz
Merge release-4-5-patches into release-4-6
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2011-12-26
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2011-12-20
Roland Schulz
Merge release-4-5-patches into release-4-6
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2011-12-11
Roland Schulz
Merge release-4-5-patches into release-4-6
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2011-12-08
Roland Schulz
Merge "Added an option to easily compile contrib progra...
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2011-11-27
Roland Schulz
Merge "Fixes inconsistent spelling of Git cmake variabl...
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2011-11-27
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2011-11-27
Roland Schulz
Merge "Replace '_' in all mdp options to '-'" into...
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2011-11-27
Roland Schulz
Merge "Cleaning up some bad coding practices" into...
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2011-11-25
Roland Schulz
Cleaning up some bad coding practices
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2011-05-31
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2011-05-30
Carsten Kutzner
Flooding as harm. restraint: Abort when origin position...
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2011-05-05
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2011-04-04
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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2011-03-30
Carsten Kutzner
Checks for zero-mass atoms in ED, better ordering of...
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2011-03-05
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2011-03-03
Carsten Kutzner
Fixed wrong error message when using flooding code...
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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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2010-07-14
Carsten Kutzner
Fixed several minor issues in ED/flooding module
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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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2010-06-10
Erik Marklund
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-09
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-06-08
Rossen Apostolov
Merge branch 'master' of git.gromacs.org:gromacs
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2010-06-08
Carsten Kutzner
fixed continuation runs with essential dynamics
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2010-06-07
Erik Marklund
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-04
Erik Marklund
Merge branch 'master' of git.gromacs.org:gromacs
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2010-06-04
Carsten Kutzner
fixed file appending for essential dynamics output...
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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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2010-02-05
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-02-03
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-02-03
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
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2010-02-03
Carsten Kutzner
Removed useless code in dd_make_local_group_indices
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2010-01-19
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-18
Carsten Kutzner
Resubmitted changes that were accidentally undone by...
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2010-01-17
Michael Shirts
Revisions to harmonize velocity verlet with Berk's...
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2010-01-14
Berk Hess
Merge branch 'release-4-0-patches' of git@git.gromacs...
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2010-01-13
Carsten Kutzner
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-13
Carsten Kutzner
Moved routines that collect group coords for comparison...
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2010-01-07
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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2009-12-22
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
Carsten Kutzner
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-21
Carsten Kutzner
Essential dynamics: fixed segfault when using sd2 integ...
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2009-12-21
Carsten Kutzner
Essential dynamics: fixed segfault when using sd2 integ...
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2009-09-14
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-09-14
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2009-09-12
Roland Schulz
Merge branch 'master' of git@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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2009-09-09
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2009-09-07
Carsten Kutzner
Edsam: Added the possibility to flood towards a certain...
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2009-08-30
kasson
Tool merge
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2009-08-27
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-08-21
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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2009-06-25
Sander Pronk
Merge branch 'thread_mpi' of git@git.gromacs.org:gromac...
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2009-06-25
Sander Pronk
Fixed many thread-unsafe bits of code; only gmx_wallcyc...
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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
Carsten Kutzner
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-06-19
Carsten Kutzner
Removed all static variables in edsam.c
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2009-06-12
Berk Hess
implemented a low memory usage global to local atom...
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2009-06-04
Erik Lindahl
Removed Id tags from master branch since they will...
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2009-06-03
hess
updated for C++ compilation
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2008-12-18
carsten
Joined the PBC edsam.c patch from the release-4-0-patch...
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2008-12-18
carsten
Fixed PBC treatment for parallel ED. With this patch...
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2008-09-19
lindahl
Implemented automatic renaming and optional appending...
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