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Redefine the default boolean type to gmx_bool.
[alexxy/gromacs.git]
/
src
/
tools
/
addconf.c
2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
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2010-07-30
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-30
Berk
commented out nthreads and threadid in t_commrec to...
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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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2010-04-27
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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2010-03-07
Roland Schulz
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-03-05
Berk Hess
genbox can now insert multi-residue molecules
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2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
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2010-03-01
Berk Hess
split off chargegroup.c from pbc.c and tpi.c from minim...
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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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2009-09-09
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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2009-08-11
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-08-05
Berk Hess
updated addconf for new tpx variables
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2009-08-04
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-08-03
Berk Hess
changed the twin-range integrator to a symplectic Trott...
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2009-07-06
Sander Pronk
more const-correctness fixes
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2009-06-30
Sander Pronk
added output_env_t type for querying time scales, and...
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2009-06-04
Erik Lindahl
Removed Id tags from master branch since they will...
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2009-03-06
hess
added t_resinfo struct to t_atoms which contains the...
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2009-02-04
hess
fixed possible segv
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2009-01-30
lindahl
Fixed (?) bug where do_nsgrid() tried to generate a...
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2009-01-27
spoel
Fixed bug 282
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2009-01-27
spoel
Removed static variables
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2008-09-19
hess
fixed incomplete mtop update which caused a segv in...
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2008-08-12
hess
introced a new structure for the local topology in...
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2008-08-11
hess
split the t_group struct into a gmx_ekindata_t struct...
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2008-08-05
hess
t_topology is now partially replaced by gmx_mtop_t...
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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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2008-02-02
hess
removed a array from t_block for cgs and mols, renamed...
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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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2007-02-13
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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2006-12-08
hess
fixed segv due to ir problems in atom2md
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2006-08-30
spoel
Fixed compilation warnings and errors.
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2006-05-12
hess
updated for change in calc_nsb
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2006-04-27
hess
updated for changed mdatoms
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2006-03-24
hess
fixed for domdec changes
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2006-03-24
hess
implemented proper local topologies for domain decompos...
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2006-03-09
spoel
Merged in new features from 3.3
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2006-02-22
spoel
Merged bugfix from 3.3
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2006-01-30
hess
removed the Reinit flag for ns introduced in the previo...
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2006-01-01
lindahl
Backported and added the new FFT interface from the...
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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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2005-06-19
spoel
Fixed more compilation issues
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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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2005-05-19
hess
implemented seperate user tables for selected pairs...
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2005-03-03
hess
added a parameter to the search_neighbours call which...
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2005-03-01
hess
implemented test particle insertion, activated the...
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2004-09-06
spoel
Replaced the fatal_error routine by a more flexible...
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2004-08-23
hess
Removed the static data in pbc_dx by adding a t_pbc...
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2004-01-23
lindahl
Fixed inclusion of config.h
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2004-01-23
spoel
Included config.h
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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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2002-02-28
spoel
Updated copyrgt
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2002-02-01
spoel
Cleanup routines in pbc.c and calls to them, plus a...
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2001-10-24
hess
fixed zero solvent potential in genion
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2001-05-14
lindahl
Tagged files with gromacs 3.0 header
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2001-04-23
spoel
Fixed compilation issues.
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2000-12-01
hess
moved orient_mol to editconf.c
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2000-12-01
hess
updated call to atoms2md
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2000-11-30
anton
added support for velocities to genbox
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2000-09-15
spoel
Fixed genbox bugs. Removed some init_lookup_tables...
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2000-09-14
hess
Committed the new innerloops for Erik Lindahl
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2000-08-03
hess
fixed several memory problems, fixed the residue name...
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2000-07-28
hess
fixed a few of the many problems in addconf
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2000-07-19
hess
now there is really no overlap and all solvent mols...
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2000-07-10
hess
fixed another cut-off problem in genbox, now the densit...
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2000-07-07
hess
corrected problems with too small box_margin
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2000-05-08
anton
scrapped unused var's and func's
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2000-04-28
hess
fixed the neighborlist by changing eNL_VDWQQ to eNL_VDW
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2000-04-27
hess
added VdW only neighborlists
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2000-04-19
lindahl
Removed to unnecessary shift_vec argument from put_char...
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2000-04-12
spoel
Updated
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2000-03-17
spoel
New and shiny genbox is ready! Can make a shell with...
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2000-03-17
spoel
Solvent-solvent is now on grid too
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2000-03-16
spoel
genbox now performs as expected. fast and reliable.
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2000-03-13
spoel
Two changes:
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2000-01-14
hess
removed obsolete box stuff
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