Revision
2220 -
Directory Listing
-
[selected]
Modified
Thu May 5 14:47:35 2005 UTC
(19 years, 3 months ago)
by
chrisfen
Diff to
previous 2214
OOPSE setup for TAP water. It's not parametrized, but OOPSE will now let me run it...
Revision
2097 -
Directory Listing
-
[select for diffs]
Modified
Wed Mar 9 17:30:29 2005 UTC
(19 years, 5 months ago)
by
tim
Diff to
previous 2094
,
to
selected 2220
adding IndexFinder which is used to select the molecules; Seperate ElectrostaticAtomTypesSectionParser into
ChargeAtomTypesSectionParser and MultipoleAtomTypesSectionParser;remove print dipole option from Dump2XYZ;
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 2220
(1) complete section parser's error message
(2) add GhostTorsion
(3) accumulate inertial tensor from the directional atoms before calculate rigidbody's inertial tensor