 ../
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UseTheForce/
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3080
(17 years ago)
by chuckv:
Added interface to change number of neighbors in calculating neighbor list.
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antlr/
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2970
(17 years ago)
by gezelter:
starting change of file formats
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applications/
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3108
(17 years ago)
by chuckv:
Removeing snapshot centroid and adding support for COM calculaton from snapshot.
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brains/
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3104
(17 years ago)
by gezelter:
Fixing an implementation problem
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constraints/
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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hydrodynamics/
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2787
(18 years ago)
by gezelter:
Massive changes for GB code with multiple ellipsoid types (a la
Cleaver's paper).
Also, changes in hydrodynamics code to make HydroProp a somewhat
smarter class (rather than just a struct).
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integrators/
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3055
(17 years ago)
by gezelter:
Added velocitizer utility program, added samples of its use to the
builder samples.
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io/
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3102
(17 years ago)
by gezelter:
Adding the ability to compute Center of Mass properties on
reading in a dump file. DumpReader must be told if it needs
to do this, however.
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lattice/
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3050
(17 years ago)
by gezelter:
bugfixing shapedLattice to have crystal origin at one of the occupied
lattice sites
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math/
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3086
(17 years ago)
by gezelter:
fixed a configuration error
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mdParser/
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2982
(17 years ago)
by tim:
Massive changes preparing for release of OOPSE-4: The main difference
is that the new MD file format (.md, .dump, .eor) now contains meta-data
information along with the configuration information.
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minimizers/
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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openbabel/
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3060
(17 years ago)
by gezelter:
fixes for open babel
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primitives/
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2982
(17 years ago)
by tim:
Massive changes preparing for release of OOPSE-4: The main difference
is that the new MD file format (.md, .dump, .eor) now contains meta-data
information along with the configuration information.
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profiling/
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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restraints/
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2991
(17 years ago)
by chrisfen:
fixes to zang writing
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selection/
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
|
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types/
|
2787
(18 years ago)
by gezelter:
Massive changes for GB code with multiple ellipsoid types (a la
Cleaver's paper).
Also, changes in hydrodynamics code to make HydroProp a somewhat
smarter class (rather than just a struct).
|
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utils/
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3036
(17 years ago)
by gezelter:
fixing bugs in randomBuilder
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visitors/
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2954
(17 years ago)
by chrisfen:
Added TRED water visitor for Dump2XYZ visualization
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config.h.in
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3057
(17 years ago)
by gezelter:
updated OpenBabel to version 2.0.2
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