biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ history
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅ next
added Verlet scheme and NxN non-bonded functionality
[alexxy/gromacs.git]
/
src
/
mdlib
/
csettle.c
2012-10-02
Szilard Pall
added Verlet scheme and NxN non-bonded functionality
blob
|
commitdiff
|
raw
2012-10-01
Roland Schulz
Merge release-4-5-patches into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-09-03
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-07-13
Roland Schulz
Merge release-4.5-patches into HEAD
blob
|
commitdiff
|
raw
|
diff to current
2012-06-01
Roland Schulz
Merge release-4-5-patches into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-05-07
Teemu Murtola
Merge branch 'gerrit/release-4-5-patches' into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-04-29
David van der Spoel
Merge "changed number of iatoms for F_SETTLE from 1...
blob
|
commitdiff
|
raw
|
diff to current
2012-04-27
Berk Hess
changed number of iatoms for F_SETTLE from 1 to 3
blob
|
commitdiff
|
raw
|
diff to current
2011-01-30
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
blob
|
commitdiff
|
raw
|
diff to current
2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
blob
|
commitdiff
|
raw
|
diff to current
2010-06-09
Gerrit Groenhof
Merge branch 'master' into qmmm
blob
|
commitdiff
|
raw
|
diff to current
2010-04-27
Berk Hess
resolved merge conflicts
blob
|
commitdiff
|
raw
|
diff to current
2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
blob
|
commitdiff
|
raw
|
diff to current
2009-12-21
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-12-20
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-12-19
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-12-17
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-12-05
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-10-25
Michael Shirts
Made changes suggested by Berk.
blob
|
commitdiff
|
raw
|
diff to current
2009-09-26
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-09-26
Michael Shirts
Now we are getting energy conservation with NPT, and...
blob
|
commitdiff
|
raw
|
diff to current
2009-09-23
Michael Shirts
before I make any other mistakes . . .
blob
|
commitdiff
|
raw
|
diff to current
2009-09-23
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-09-23
Michael Shirts
Code now almost conserves energy. I should investigate...
blob
|
commitdiff
|
raw
|
diff to current
2009-09-18
Michael Shirts
A number of changes to try to rationalize constraints...
blob
|
commitdiff
|
raw
|
diff to current
2009-09-09
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-08-30
kasson
Tool merge
blob
|
commitdiff
|
raw
|
diff to current
2009-08-27
Per Larsson
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-08-27
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-08-26
Erik Lindahl
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-08-26
Erik Lindahl
Changed invsqrt() to gmx_invsqrt() to accuracy loss...
blob
|
commitdiff
|
raw
|
diff to current
2009-06-17
Berk Hess
implemented force constraining that work together with...
blob
|
commitdiff
|
raw
|
diff to current
2009-06-04
Erik Lindahl
Removed Id tags from master branch since they will...
blob
|
commitdiff
|
raw
|
diff to current
2009-05-28
hess
fixed too small determinant in settle with frozen water...
blob
|
commitdiff
|
raw
|
diff to current
2009-05-28
hess
fixed too small determinant in settle with frozen water...
blob
|
commitdiff
|
raw
|
diff to current
2008-08-11
hess
added virial calculation for velocities and forces...
blob
|
commitdiff
|
raw
|
diff to current
2008-01-10
hess
implemented constraint with all minimizers and with...
blob
|
commitdiff
|
raw
|
diff to current
2007-07-10
hess
made log file printing on non-master nodes optional...
blob
|
commitdiff
|
raw
|
diff to current
2006-10-16
hess
changed the velocity constraining from positional diffe...
blob
|
commitdiff
|
raw
|
diff to current
2006-04-19
lindahl
fatal.h clashes with system headers on AIX. Renamed...
blob
|
commitdiff
|
raw
|
diff to current
2006-04-06
hess
removed the static settle data in low_constrain
blob
|
commitdiff
|
raw
|
diff to current
2005-03-11
hess
Huge constraint virial fix: moved the constraint virial...
blob
|
commitdiff
|
raw
|
diff to current
2004-07-15
hess
fixed huge velocity and pressure deviations which could...
blob
|
commitdiff
|
raw
|
diff to current
2004-01-23
lindahl
Added conditional inclusion of config.h to source files.
blob
|
commitdiff
|
raw
|
diff to current
2003-11-17
spoel
Upped the version to 3.2.0
blob
|
commitdiff
|
raw
|
diff to current
2002-12-05
spoel
Lots of small updates, don't trust CVS right now
blob
|
commitdiff
|
raw
|
diff to current
2002-11-06
lindahl
Partial commit of the project to remove all static...
blob
|
commitdiff
|
raw
|
diff to current
2002-08-01
lindahl
Improved the performance on Powerpc by tweaking the...
blob
|
commitdiff
|
raw
|
diff to current
2002-02-28
spoel
Renamed pull-internal.h to pull_internal.h
blob
|
commitdiff
|
raw
|
diff to current
2001-05-14
lindahl
Tagged files with gromacs 3.0 header
blob
|
commitdiff
|
raw
|
diff to current
2000-11-12
spoel
Added extra check in settle, and more descriptive warni...
blob
|
commitdiff
|
raw
|
diff to current
1999-11-03
hess
copyrgted
blob
|
commitdiff
|
raw
|
diff to current
1999-06-02
hess
moved the constraint stuff form update.c to constr.c
blob
|
commitdiff
|
raw
|
diff to current
1999-05-16
hess
moved from gmxlib to mdlib
blob
|
commitdiff
|
raw
|
diff to current
biod.pnpi.spb.ru / alexxy / gromacs.git / history