Revision
1291 -
Directory Listing
-
[select for diffs]
Modified
Thu Sep 11 19:40:59 2008 UTC
(16 years, 10 months ago)
by
gezelter
Diff to
previous 1290
Added some logic to print out a special pair distance as a column in
the stat file. To use this feature, use taggedAtomPair = "0, 10" and
printTaggedPairDistance = "true" in the md file. Then, the distance
between integrableObjects 0 and 10 will be computed and printed in
the stat file on each statWrite.
Revision
543 -
Directory Listing
-
[select for diffs]
Modified
Thu May 26 22:45:00 2005 UTC
(20 years, 2 months ago)
by
tim
Diff to
previous 527
adding AtomNameVisitor to convert atom name to its base name; wrappingvisitor
now wrap back to the center of the mass; adding P2OrderParameter into StaticProps
Revision
413 -
Directory Listing
-
[select for diffs]
Modified
Wed Mar 9 17:30:29 2005 UTC
(20 years, 4 months ago)
by
tim
Diff to
previous 407
adding IndexFinder which is used to select the molecules; Seperate ElectrostaticAtomTypesSectionParser into
ChargeAtomTypesSectionParser and MultipoleAtomTypesSectionParser;remove print dipole option from Dump2XYZ;