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added Verlet scheme and NxN non-bonded functionality
[alexxy/gromacs.git]
/
include
/
pbc.h
2012-10-02
Szilard Pall
added Verlet scheme and NxN non-bonded functionality
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2011-05-06
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2011-05-05
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2011-04-14
Mark Abraham
Fixed header #ifndef test
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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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2010-08-23
Rossen Apostolov
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-22
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-22
Erik Lindahl
Cleaned up all installed headers to remove strict depen...
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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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2010-03-02
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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2009-08-21
Sander Pronk
Merge branch 'thread_mpi'. Threads should work for...
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2009-07-16
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-07-16
kasson
PK all instances of CPLUSPLUS #define changed to standa...
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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
Improved compilation (no errors, less warnings) of...
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2009-05-18
hess
added inputrec2nboundeddim
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2008-03-11
hess
implemented screw pbc
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2008-03-07
hess
the pull code now uses proper pbc_dx_d calls
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2008-03-07
hess
reorganized the pbc code, there is now an extra pbc_dx...
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2008-02-29
hess
postion restraints now use umlimited shift pbc iso...
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2007-11-27
hess
removed global variable stdlog
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2007-04-21
hess
implemented two new scaling options for the posres...
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2007-04-10
spoel
Implemented compiler bug workaround.
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2007-02-13
hess
added pbc=xy and walls, added a separate mdp option...
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2006-10-30
hess
fixed the box correcting routine for DD and moved it...
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2006-10-17
hess
moved the pbc with DD to the dd_move routines, the...
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2006-07-19
spoel
Nerges from 3.3
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2005-06-16
hess
removed box_size (which was not used anyhow)
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2005-04-12
hess
added while loops in pbc_dx to correct for multiple...
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2005-04-12
hess
added option for the definition of the center in calc_b...
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2004-08-23
hess
Removed the static data in pbc_dx by adding a t_pbc...
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2003-11-28
spoel
Modified debugging stuff
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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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2002-06-17
hess
corrected the definition of the shift in pbc_dx
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2002-05-18
hess
pbc_dx now also returns the shift index
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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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2001-05-14
lindahl
Tagged files with gromacs 3.0 header and added some...
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2001-03-02
lindahl
Transfer of the entire build system to autoconf/automake.
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2001-02-27
hess
changed bTruncOct to bNotUsed
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2000-12-11
hess
added check for offdiag box elem > 0.5*diag, for testin...
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2000-08-02
hess
added consts in pbc_dx call
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2000-06-10
hess
implemented correction for invalid box due to pressure...
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2000-06-06
hess
changed some brackets
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2000-04-19
lindahl
Changed the shift code to use list of ivec with separat...
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2000-01-31
hess
rewrote the trx routines
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2000-01-06
hess
added routines for calculating the compact unitcell...
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1999-12-02
hess
made three different box representations for trjconv
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1999-11-30
hess
fixed the checks for triclinic box support
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1999-11-29
hess
added support for triclinic boxes
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1999-11-03
hess
copyrgted
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1999-10-26
spoel
Added a function that just computes cg_cm without pbc.
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1999-04-20
anton
removed 'box' from pbc_dx, cleaned up number of 'dist...
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1999-03-09
spoel
Commited by accident, now should work again
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1999-03-09
spoel
*** empty log message ***
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1999-01-21
anton
renamed put_atoms_in_box to put_charge_groups_in_box...
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1998-05-25
spoel
Changed some function headers for domain decomposition
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1997-12-23
anton
Edited by Copyright -> 2.0
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1997-11-27
anton
Edited by copyrgt -> v1.6; fixed loads of inconsistent...
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1997-11-03
spoel
Initial revision
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biod.pnpi.spb.ru / alexxy / gromacs.git / history