Revision
2097 -
Directory Listing
-
[select for diffs]
Modified
Wed Mar 9 17:30:29 2005 UTC
(19 years, 6 months ago)
by
tim
Diff to
previous 2065
,
to
selected 1975
adding IndexFinder which is used to select the molecules; Seperate ElectrostaticAtomTypesSectionParser into
ChargeAtomTypesSectionParser and MultipoleAtomTypesSectionParser;remove print dipole option from Dump2XYZ;
Revision
1975 -
Directory Listing
-
[selected]
Modified
Fri Feb 4 22:43:54 2005 UTC
(19 years, 7 months ago)
by
tim
Diff to
previous 1957
dump2Xyz now take advantage of selection library
Revision
1957 -
Directory Listing
-
[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 1975
(1) complete section parser's error message
(2) add GhostTorsion
(3) accumulate inertial tensor from the directional atoms before calculate rigidbody's inertial tensor