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1858 -
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Modified
Wed Apr 3 21:32:13 2013 UTC
(12 years, 1 month ago)
by
gezelter
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previous 1856
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Some bugfixes for cell-linked-list-style neighbor lists when the simulation
doesn't use periodic boundary conditions. Cleaning up some of the Hull
stuff while we're in there.
Revision
1856 -
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Tue Apr 2 21:30:34 2013 UTC
(12 years, 1 month ago)
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gezelter
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Bug fixes to get new parallel decomposition methods working without periodic boundary conditions.
Updated volume in stats file correctly.
LangevinHull fixes for low viscosity values.
Revision
1855 -
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Tue Apr 2 18:31:51 2013 UTC
(12 years, 1 month ago)
by
gezelter
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previous 1850
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selected 1539
Fixed a bunch of bugs in CubicSpline debug sections, ForceMatrix Decomp
computing costhetas for non-existent rotation matrices, Hidden accumulator counts, and SMIPD non-coupling
Revision
1849 -
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Modified
Wed Feb 20 13:52:51 2013 UTC
(12 years, 2 months ago)
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gezelter
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previous 1826
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Performance increases for cubic spline.
Bug fix for electric field in parallel.
Cleaned up globals.
Started adding infrastructure for long range corrections.
Revision
1688 -
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Modified
Wed Mar 14 17:56:01 2012 UTC
(13 years, 1 month ago)
by
gezelter
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previous 1668
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selected 1539
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.
Revision
1539 -
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Modified
Fri Jan 14 22:31:31 2011 UTC
(14 years, 3 months ago)
by
gezelter
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previous 1538
Starting a Parallel architecture