Revision
413 -
Directory Listing
-
[select for diffs]
Modified
Wed Mar 9 17:30:29 2005 UTC
(20 years, 8 months ago)
by
tim
Diff to
previous 381
,
to
selected 302
adding IndexFinder which is used to select the molecules; Seperate ElectrostaticAtomTypesSectionParser into
ChargeAtomTypesSectionParser and MultipoleAtomTypesSectionParser;remove print dipole option from Dump2XYZ;
Revision
302 -
Directory Listing
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[selected]
Modified
Mon Feb 7 21:11:22 2005 UTC
(20 years, 9 months ago)
by
tim
Diff to
previous 294
update help info for Dump2XYZ
Revision
273 -
Directory Listing
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[select for diffs]
Modified
Tue Jan 25 17:45:23 2005 UTC
(20 years, 10 months ago)
by
tim
Diff to
previous 267
,
to
selected 302
(1) complete section parser's error message
(2) add GhostTorsion
(3) accumulate inertial tensor from the directional atoms before calculate rigidbody's inertial tensor