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Various small changes to the man pages.
[alexxy/gromacs.git]
/
src
/
tools
/
gmx_disre.c
2011-01-24
Justin Lemkul
Various small changes to the man pages.
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2011-01-23
Mark Abraham
Improved consistency of text style usage
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2011-01-19
Justin Lemkul
Tons of tiny changes to documentation. Manual looks...
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2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
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2010-08-17
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-17
Michael Shirts
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2010-08-16
Berk Hess
gmx_rmpbc gets natoms passed again, without natoms...
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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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2010-07-05
Maarten Wolf
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-07-02
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-02
David van der Spoel
Made removing pbc non-static. This affects many analysi...
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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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2010-06-23
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-06-22
Sander Pronk
Most (if not all) file operations are now thread safe.
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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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2009-12-20
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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2009-12-05
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-02
Berk Hess
Merge commit 'origin/master' into 2dpme
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2009-12-01
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-30
Roland Schulz
close all files with ffclose which are opened with...
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2009-11-30
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-27
Roland Schulz
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-27
Sander Pronk
More C++ fixes: #include "gmx_ana.h" was missing in all
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2009-11-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-10-25
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-10-21
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2009-10-20
Roland Schulz
md5sum and locking for appending of files
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2009-10-16
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-10-12
Sander Pronk
Cleaned up parallel detection in pme & other places.
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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
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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2009-07-07
Sander Pronk
MPI send/recv more forgiving of NULL ptrs, misc. thread...
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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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2009-06-17
Sander Pronk
Merge branch 'thread_mpi'
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2009-06-17
Sander Pronk
intial commit of thread_mpi (compiles, but does not...
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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
teemu
Fixed many warnings about const issues in C++.
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2009-06-03
lindahl
More fixes for warnings after enabling Gromacs compilat...
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2009-03-06
hess
added t_resinfo struct to t_atoms which contains the...
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2009-02-02
hess
changed most step count variables from int to gmx_step_t
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2008-09-19
lindahl
Implemented automatic renaming and optional appending...
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2008-08-15
hess
added missing init_mdatoms
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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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2008-06-17
hess
implemented checkpointing for distance and orientation...
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2008-06-12
spoel
Added extra parameter
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2008-04-02
hess
added option to mdrun to print large forces
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2008-03-11
hess
implemented screw pbc
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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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2008-02-01
hess
made SHAKE within charge groups work with domain decomp...
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2007-12-10
spoel
Fixed bug in matrix output
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2007-11-27
hess
removed global variable stdlog
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2007-09-12
spoel
Added flag for matrix output
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2007-07-13
hess
mdrun now only writes a log file on the master node...
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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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2007-04-26
spoel
Added flags to control number of levels and max value...
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2007-04-05
spoel
Added matrix output option.
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2007-04-04
spoel
Added optional flag to dump a distance violation matrix...
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2007-02-13
hess
added pbc=xy and walls, added a separate mdp option...
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2007-01-02
hess
removed the nsb struct and moved all the particle decom...
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2006-12-14
hess
removed the multinr arrays from the ilist and block...
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2006-12-08
hess
implemented tabulated bonded potentials
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2006-05-12
hess
updated for change in calc_nsb
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2006-04-19
hess
fixed for mdatoms updates
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2006-03-24
hess
fixed for domdec changes
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2005-09-24
spoel
Moved parallellization from grompp to mdrun
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2005-09-12
carsten
Carsten: added PME-PP node splitting for parallel runs
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2005-08-25
spoel
Removed compilation warnings
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2005-08-24
lindahl
Fixed non-ANSI C variable declarations after instructions.
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2005-08-19
spoel
Fixed typo
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2005-08-10
spoel
re-enable thanx() call at the end.
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2005-08-10
spoel
Removed 1/0 calculation.
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2005-08-07
spoel
Added support for sixth power time averaging in analysi...
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2005-08-04
spoel
Removed the t_parm structure and did some very minor...
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2005-06-19
spoel
Fixed compilation issues
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2005-06-01
hess
with energy minimization the masses are now set to...
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2005-03-12
spoel
Fixed possible SEGV.
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2005-03-07
spoel
Added option to compute time-averaged restraints per...
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2004-12-11
spoel
Updated trjconv with new option to dump all clusters...
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2004-12-11
spoel
Added option to dump the third-power averaged violation...
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2004-09-06
spoel
Replaced the fatal_error routine by a more flexible...
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2004-09-06
spoel
This is a patch that make parallel runs under MPI termi...
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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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2004-08-16
spoel
Updated for use with pbc=full
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