Revision
543 -
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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
527 -
Directory Listing
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[selected]
Modified
Thu May 12 19:43:48 2005 UTC
(20 years, 2 months ago)
by
chrisfen
Diff to
previous 507
Couple of changes for TAP water. Need to parametrize.
Revision
413 -
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Modified
Wed Mar 9 17:30:29 2005 UTC
(20 years, 4 months ago)
by
tim
Diff to
previous 381
,
to
selected 527
adding IndexFinder which is used to select the molecules; Seperate ElectrostaticAtomTypesSectionParser into
ChargeAtomTypesSectionParser and MultipoleAtomTypesSectionParser;remove print dipole option from Dump2XYZ;
Revision
273 -
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Modified
Tue Jan 25 17:45:23 2005 UTC
(20 years, 6 months ago)
by
tim
Diff to
previous 267
,
to
selected 527
(1) complete section parser's error message
(2) add GhostTorsion
(3) accumulate inertial tensor from the directional atoms before calculate rigidbody's inertial tensor