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
,
to
selected 291
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 381
,
to
selected 291
adding IndexFinder which is used to select the molecules; Seperate ElectrostaticAtomTypesSectionParser into
ChargeAtomTypesSectionParser and MultipoleAtomTypesSectionParser;remove print dipole option from Dump2XYZ;
Revision
291 -
Directory Listing
-
[selected]
Modified
Fri Feb 4 22:43:54 2005 UTC
(20 years, 6 months ago)
by
tim
Diff to
previous 273
dump2Xyz now take advantage of selection library
Revision
273 -
Directory Listing
-
[select for diffs]
Modified
Tue Jan 25 17:45:23 2005 UTC
(20 years, 6 months ago)
by
tim
Diff to
previous 267
,
to
selected 291
(1) complete section parser's error message
(2) add GhostTorsion
(3) accumulate inertial tensor from the directional atoms before calculate rigidbody's inertial tensor