Revision
3448 -
Directory Listing
-
[select for diffs]
Modified
Thu Sep 11 19:40:59 2008 UTC
(15 years, 11 months ago)
by
gezelter
Diff to
previous 3446
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
2240 -
Directory Listing
-
[select for diffs]
Modified
Thu May 26 22:45:00 2005 UTC
(19 years, 3 months ago)
by
tim
Diff to
previous 2224
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
2097 -
Directory Listing
-
[select for diffs]
Modified
Wed Mar 9 17:30:29 2005 UTC
(19 years, 5 months ago)
by
tim
Diff to
previous 2091
adding IndexFinder which is used to select the molecules; Seperate ElectrostaticAtomTypesSectionParser into
ChargeAtomTypesSectionParser and MultipoleAtomTypesSectionParser;remove print dipole option from Dump2XYZ;