Revision
2097 -
Directory Listing
-
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Modified
Wed Mar 9 17:30:29 2005 UTC
(19 years, 6 months ago)
by
tim
Diff to
previous 2088
,
to
selected 2060
adding IndexFinder which is used to select the molecules; Seperate ElectrostaticAtomTypesSectionParser into
ChargeAtomTypesSectionParser and MultipoleAtomTypesSectionParser;remove print dipole option from Dump2XYZ;
Revision
2060 -
Directory Listing
-
[selected]
Modified
Thu Feb 24 20:55:07 2005 UTC
(19 years, 6 months ago)
by
tim
Diff to
previous 2053
adding basic_teebuf which can operate on multiple stream simutaneously.
Revision
1957 -
Directory Listing
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[select for diffs]
Modified
Tue Jan 25 17:45:23 2005 UTC
(19 years, 7 months ago)
by
tim
Diff to
previous 1951
,
to
selected 2060
(1) complete section parser's error message
(2) add GhostTorsion
(3) accumulate inertial tensor from the directional atoms before calculate rigidbody's inertial tensor