 ../
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visitors/
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1702
(13 years ago)
by kstocke1:
Un-did some changes that weren't ready to be committed.
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utils/
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1704
(13 years ago)
by gezelter:
qhull modifications for compilation
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types/
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1708
(13 years ago)
by gezelter:
Adding some new atom types, fixing a convex hull bug, removing silly stuff
from Snapshot
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selection/
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1665
(13 years ago)
by gezelter:
updated copyright notices
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restraints/
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1709
(13 years ago)
by gezelter:
Moving silly stuff out of Stats and into Snapshot. Most of it should go
into a not-yet-implemented FrameData class.
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primitives/
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1702
(13 years ago)
by kstocke1:
Un-did some changes that weren't ready to be committed.
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parallel/
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1706
(13 years ago)
by gezelter:
fixed an initialization bug in Dump2XYZ
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nonbonded/
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1688
(13 years ago)
by gezelter:
Bug fixes for GB. Now using strength parameter mixing ideas from Wu
et al. [J. Chem. Phys. 135, 155104 (2011)]. This helps get the
dissimilar particle mixing behavior to be the same whichever order the
two particles come in. This does require that the force field file to
specify explicitly the values for epsilon in the cross (X), side-by-side (S),
and end-to-end (E) configurations.
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minimizers/
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1668
(13 years ago)
by gezelter:
Some fixes for CMake and single precision builds
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mdParser/
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1665
(13 years ago)
by gezelter:
updated copyright notices
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math/
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1708
(13 years ago)
by gezelter:
Adding some new atom types, fixing a convex hull bug, removing silly stuff
from Snapshot
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lattice/
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1701
(13 years ago)
by kstocke1:
Added files for fcc and pentagonal nanorod builders. Updated runMe in samples/builders to include nanorod builders.
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io/
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1688
(13 years ago)
by gezelter:
Bug fixes for GB. Now using strength parameter mixing ideas from Wu
et al. [J. Chem. Phys. 135, 155104 (2011)]. This helps get the
dissimilar particle mixing behavior to be the same whichever order the
two particles come in. This does require that the force field file to
specify explicitly the values for epsilon in the cross (X), side-by-side (S),
and end-to-end (E) configurations.
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integrators/
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1686
(13 years ago)
by gezelter:
Fixes for compilation under LLVM compiler
Bug-fix for switching function in Gay-Berne
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hydrodynamics/
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1665
(13 years ago)
by gezelter:
updated copyright notices
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constraints/
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1665
(13 years ago)
by gezelter:
updated copyright notices
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brains/
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1709
(13 years ago)
by gezelter:
Moving silly stuff out of Stats and into Snapshot. Most of it should go
into a not-yet-implemented FrameData class.
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applications/
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1706
(13 years ago)
by gezelter:
fixed an initialization bug in Dump2XYZ
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antlr/
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1653
(13 years ago)
by gezelter:
fixing compilation bugs on gcc-4.4
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UseTheForce/
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1703
(13 years ago)
by jmichalk:
JRM Added additional section parsers to EAM_FF.cpp
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config.h.cmake
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1704
(13 years ago)
by gezelter:
qhull modifications for compilation
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