Revision
1725 -
Directory Listing
-
[select for diffs]
Modified
Sat May 26 18:13:43 2012 UTC
(13 years, 6 months ago)
by
gezelter
Diff to
previous 1702
,
to
selected 543
Individual ForceField classes have been removed (they were essentially
all duplicates anyway).
ForceField has moved to brains, and since only one force field is in
play at any time, the ForceFieldFactory and Register methods have been
removed.
Revision
1291 -
Directory Listing
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Modified
Thu Sep 11 19:40:59 2008 UTC
(17 years, 2 months ago)
by
gezelter
Original Path:
trunk/src/visitors
Diff to
previous 1290
,
to
selected 543
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
-
[selected]
Modified
Thu May 26 22:45:00 2005 UTC
(20 years, 6 months ago)
by
tim
Original Path:
trunk/src/visitors
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, 8 months ago)
by
tim
Original Path:
trunk/src/visitors
Diff to
previous 407
,
to
selected 543
adding IndexFinder which is used to select the molecules; Seperate ElectrostaticAtomTypesSectionParser into
ChargeAtomTypesSectionParser and MultipoleAtomTypesSectionParser;remove print dipole option from Dump2XYZ;