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 404
,
to
selected 274
adding IndexFinder which is used to select the molecules; Seperate ElectrostaticAtomTypesSectionParser into
ChargeAtomTypesSectionParser and MultipoleAtomTypesSectionParser;remove print dipole option from Dump2XYZ;
Revision
274 -
Directory Listing
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[selected]
Modified
Tue Jan 25 21:59:18 2005 UTC
(20 years, 6 months ago)
by
tim
Diff to
previous 273
fix a bug in SimInfo, use number of cutoff stamp as counter to loop over rigidbody stamp
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 274
(1) complete section parser's error message
(2) add GhostTorsion
(3) accumulate inertial tensor from the directional atoms before calculate rigidbody's inertial tensor