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added Verlet scheme and NxN non-bonded functionality
[alexxy/gromacs.git]
/
src
/
gmxlib
/
ewald_util.c
2012-10-02
Szilard Pall
added Verlet scheme and NxN non-bonded functionality
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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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2010-03-02
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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2009-09-09
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
Per Larsson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-08-27
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-08-26
Erik Lindahl
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-08-26
Erik Lindahl
Changed invsqrt() to gmx_invsqrt() to accuracy loss...
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2009-06-04
Erik Lindahl
Removed Id tags from master branch since they will...
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2009-03-07
lindahl
Fixed windows portability issues, and renamed some...
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2008-07-23
hess
added 3dc dipole correction to the debug output
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2008-03-04
hess
the position restraints no longer contribute to the...
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2008-02-02
hess
removed a array from t_block for cgs and mols, renamed...
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2007-11-16
hess
Avoided diverging Ewald exclusion forces for very small...
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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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2007-01-04
hess
removed debug prints
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2007-01-02
hess
removed the nsb struct and moved all the particle decom...
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2006-09-08
hess
fixed a segv with fep without perturbed atoms
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2006-08-16
hess
fixed double counting of exclusions with DD for Ewald...
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2006-04-19
lindahl
fatal.h clashes with system headers on AIX. Renamed...
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2006-01-03
spoel
Did a large clean up of unused functions etc.
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2005-05-12
hess
Fix for the previous commit: added the energy contribut...
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2005-05-11
spoel
Added patch for when atoms are on top of each other...
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2005-01-12
hess
Added missing term epsilon_r to the Ewald and PME algor...
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2004-12-06
hess
fixed bug introduced in the previous commit
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2004-12-05
spoel
ewald_LRcorrection now exports the dipole and charge...
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2004-11-01
hess
implemented free-energy for Ewald and PME
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2004-09-06
spoel
Replaced the fatal_error routine by a more flexible...
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2004-08-31
hess
fixed bug where the ewald_geometry=3dc correction was...
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2004-08-17
hess
Changed Vexcl to double precision, previously there...
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2004-08-10
hess
added reaction-field correction for excluded atom pairs...
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2004-01-23
lindahl
Added conditional inclusion of config.h to source files.
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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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2002-09-25
lindahl
Removed stupid asm debug code from ewald_util.c
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2002-09-24
lindahl
Removed a debug message from ewald_util.c
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2002-09-20
lindahl
Removed unused optimizations in mkinl.
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2002-03-21
spoel
Cleaned up a bit
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2002-02-28
spoel
Updated copyrgt wrapper
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2002-02-26
lindahl
Fixed minor bugs in PPC G3 detection.
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2002-01-29
lindahl
Fixed bugs in the charge and dipole Ewald corrections.
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2001-05-14
lindahl
Tagged files with gromacs 3.0 header
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2001-02-20
hess
removed /rc in ewald beta determination, this means...
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2000-09-22
hess
hopefully fixed the triclinic PME bug, but I am not...
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2000-09-21
spoel
Fixed bug in longrange LJ + PME code by adding an extra...
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2000-09-14
hess
Committed the new innerloops for Erik Lindahl
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2000-08-22
lindahl
Changed sign of dipole correction and introduced an...
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2000-07-20
lindahl
Fixed two bugs: The dipole in the correction should...
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2000-07-20
lindahl
Fixed a bug in the LR correction due to reuse of the...
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2000-07-19
lindahl
Added charge and surface dipole correction to Ewald...
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2000-05-15
anton
removed unused vars
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1999-11-07
spoel
Changed table lookup back to analytical form in LR...
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1999-11-03
hess
copyrgted
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1999-11-01
lindahl
The mix of potentials and longrange corrections in...
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biod.pnpi.spb.ru / alexxy / gromacs.git / history