Revision
1126 -
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Modified
Fri Apr 6 21:53:43 2007 UTC
(18 years, 6 months ago)
by
gezelter
Diff to
previous 1112
,
to
selected 305
Massive update to do virials (both atomic and cutoff-group) correctly.
The rigid body constraint contributions had been missing and this was
masked by the use of cutoff groups...
Revision
1024 -
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Modified
Wed Aug 30 18:42:29 2006 UTC
(19 years, 1 month ago)
by
tim
Diff to
previous 963
,
to
selected 305
Massive changes preparing for release of OOPSE-4: The main difference
is that the new MD file format (.md, .dump, .eor) now contains meta-data
information along with the configuration information.
Revision
305 -
Directory Listing
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[selected]
Modified
Mon Feb 7 22:39:19 2005 UTC
(20 years, 8 months ago)
by
tim
Diff to
previous 289
add getRigidBodyAt function into Molecule class
Revision
273 -
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Modified
Tue Jan 25 17:45:23 2005 UTC
(20 years, 8 months ago)
by
tim
Diff to
previous 267
,
to
selected 305
(1) complete section parser's error message
(2) add GhostTorsion
(3) accumulate inertial tensor from the directional atoms before calculate rigidbody's inertial tensor
Revision
205 -
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Modified
Thu Nov 4 16:22:03 2004 UTC
(20 years, 11 months ago)
by
gezelter
Diff to
previous 198
,
to
selected 305
isLinear and linearAxis are virtual in StuntDouble,
but are implemented by DirectionalAtom and RigidBody
In StuntDouble, they should return false and "-1" but
there should be logic to figure them out in the other
two classes