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added Verlet scheme and NxN non-bonded functionality
[alexxy/gromacs.git]
/
src
/
mdlib
/
pull.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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2012-09-03
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
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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2011-12-08
Roland Schulz
Merge "Added an option to easily compile contrib progra...
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2011-11-30
Roland Schulz
Merge "Merge remote-tracking branch 'gerrit/release...
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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 "Initialize variables to make GCC 4.6 not complai...
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2011-11-27
Berk Hess
fixed pull constraint periodicity consistency check...
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2011-10-20
Christoph Junghans
Merge "Fixes for GB kernel" into release-4-5-patches
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2011-10-19
Teemu Murtola
Merge "fixed pull constraining doing nothing, fixes...
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2011-10-13
Berk Hess
fixed pull constraining doing nothing, fixes #825
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2011-07-01
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2011-06-22
Berk Hess
fixed convergence of multiple pull constraints
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2011-01-30
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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2010-12-26
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2010-12-22
Berk Hess
removed incorrect citation print of Engin2010 for pull...
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2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
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2010-07-24
Sander Pronk
New .edr file format: now supports blocks of arbitrary...
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2010-07-10
Michael Shirts
Fixed minor formatting conflict.
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2010-06-30
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-06-28
Berk Hess
documented pull cosine weighting
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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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2010-03-09
Berk Hess
added checksums for mdrun xvg output files
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2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
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2010-02-24
Berk Hess
fixed pull constraint memory error causing always 100...
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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
Berk Hess
renamed ga2la_home to ga2la_get_home, added ga2la_is_home
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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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2009-12-20
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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2009-09-23
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-09-17
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-09-16
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
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2009-09-15
Berk Hess
added pull geometry distance_periodic and reorganized...
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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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2009-09-09
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
Roland Schulz
renamed gmx_step_t to gmx_large_int_t. gmx_large_int_t...
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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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2009-08-11
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-08-10
Berk Hess
Merge branch 'release-4-0-patches' of git@git.gromacs...
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2009-08-07
Berk Hess
added env.var. to turn off the COM pull virial contribution
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2009-08-07
Berk Hess
corrected COM pull position reference to init+rate...
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2009-08-07
Berk Hess
corrected COM pull position reference to init+rate...
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2009-07-06
Sander Pronk
more const-correctness fixes
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2009-07-04
Sander Pronk
file names now const correct; builds in C++
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2009-06-30
Sander Pronk
added output_env_t type for querying time scales, and...
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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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2009-06-12
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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2009-05-26
hess
fixed pbc issues with cylinder pulling when the pull...
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2009-05-20
hess
added the coordinates of the cylinder group to the...
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2009-02-02
hess
changed most step count variables from int to gmx_step_t
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2009-01-24
hess
fixed several issues in the cylinder pull code
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2009-01-24
hess
fixed compiler warnings
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2009-01-24
hess
fixed several issues in the cylinder pull code
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2009-01-15
hess
corrected the sign of the umbrella and constraint pull...
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2009-01-15
hess
corrected the sign of the umbrella and constraint pull...
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2008-12-18
hess
allowed dd_make_local_pull_groups to be called with PD
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2008-12-18
hess
allowed dd_make_local_pull_groups to be called with PD
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2008-12-03
hess
added double sqr version: dsqr
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2008-12-03
hess
added double sqr version: dsqr
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2008-12-01
hess
changed the time and lambda parameters in inputrec...
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2008-12-01
hess
minor change of pull output formatting
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2008-12-01
hess
minor change of pull output formatting
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2008-10-26
hess
changed constraint dr output from t+dt to t, introduced...
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2008-10-26
hess
changed constraint dr output from t+dt to t, introduced...
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2008-10-24
hess
fixed incorrect distance with geometry=position and...
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2008-10-24
hess
fixed incorrect distance with geometry=position and...
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2008-10-23
hess
fixed bug with parallel pulling and geometry=position...
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2008-10-23
hess
fixed bug with parallel pulling and geometry=position...
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2008-09-19
lindahl
Implemented automatic renaming and optional appending...
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2008-08-07
hess
fixed bugs introduced in the previous revision
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2008-08-05
hess
t_topology is now partially replaced by gmx_mtop_t...
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2008-07-09
hess
implemented cosine weighting for pull groups
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2008-06-27
hess
fixed mass weighting issues causing nan's with energy...
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2008-06-27
hess
added print for the masses of the pull groups
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2008-06-19
hess
implemented fep for the umbrella k in COM pulling
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biod.pnpi.spb.ru / alexxy / gromacs.git / history