Revision
1764 -
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Modified
Tue Jul 3 18:32:27 2012 UTC
(12 years, 10 months ago)
by
gezelter
Diff to
previous 1725
Refactored Snapshot and Stats to use the Accumulator classes. Collected
a number of methods into Thermo that belonged there.
Revision
1725 -
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Modified
Sat May 26 18:13:43 2012 UTC
(12 years, 11 months ago)
by
gezelter
Diff to
previous 1702
Individual ForceField classes have been removed (they were essentially
all duplicates anyway).
ForceField has moved to brains, and since only one force field is in
play at any time, the ForceFieldFactory and Register methods have been
removed.
Revision
1701 -
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Modified
Thu Apr 5 19:37:58 2012 UTC
(13 years, 1 month ago)
by
kstocke1
Diff to
previous 1665
Added files for fcc and pentagonal nanorod builders. Updated runMe in samples/builders to include nanorod builders.
Revision
1291 -
Directory Listing
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Modified
Thu Sep 11 19:40:59 2008 UTC
(16 years, 8 months ago)
by
gezelter
Original Path:
trunk/src/visitors
Diff to
previous 1290
Added some logic to print out a special pair distance as a column in
the stat file. To use this feature, use taggedAtomPair = "0, 10" and
printTaggedPairDistance = "true" in the md file. Then, the distance
between integrableObjects 0 and 10 will be computed and printed in
the stat file on each statWrite.
Revision
413 -
Directory Listing
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Modified
Wed Mar 9 17:30:29 2005 UTC
(20 years, 2 months ago)
by
tim
Original Path:
trunk/src/visitors
Diff to
previous 407
adding IndexFinder which is used to select the molecules; Seperate ElectrostaticAtomTypesSectionParser into
ChargeAtomTypesSectionParser and MultipoleAtomTypesSectionParser;remove print dipole option from Dump2XYZ;