- Mar 06, 2017
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Richard Berger authored
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Richard Berger authored
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- Mar 05, 2017
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Richard Berger authored
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Richard Berger authored
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- Feb 21, 2017
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Steve Plimpton authored
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sjplimp authored
collected small bugfixes and updates
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sjplimp authored
more neighbor list changes, some new options
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Steve Plimpton authored
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sjplimp authored
Kokkos version of class2 bond, angle, dihedral, and improper from Ray Shan
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sjplimp authored
neighbor_kokkos.cpp: Don't call grow() on neighbor lists that are copies
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sjplimp authored
updated documentation and examples for coreshell
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sjplimp authored
Fixed bugs with pppm/gpu when used with compute group/group
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sjplimp authored
USER-DPD: performance optimizations to ssa_update() in fix_shardlow
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sjplimp authored
Kokkos library update
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Steve Plimpton authored
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- Feb 17, 2017
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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- Feb 15, 2017
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Steve Plimpton authored
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Stan Moore authored
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Stan Moore authored
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Stan Moore authored
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Stan Moore authored
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Tim Mattox authored
This corresponds to a bugfix from commit 9161bd98 on neighbor.cpp
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- Feb 14, 2017
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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Hendrik Heenen authored
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Trung Nguyen authored
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- Feb 13, 2017
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Stan Moore authored
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Tim Mattox authored
Overall improvements range from 2% to 18% on our benchmarks 1) Newton has to be turned on for SSA, so remove those conditionals 2) Rework the math in ssa_update() to eliminate many ops and temporaries 3) Split ssa_update() into two versions, based on DPD vs. DPDE 4) Reorder code in ssa_update_*() to reduce register pressure
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Stan Moore authored
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Stan Moore authored
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Stan Moore authored
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Steve Plimpton authored
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sjplimp authored
simplify FFT3d code by removing support for outdated FFT libraries
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Steve Plimpton authored
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- Feb 10, 2017
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Steve Plimpton authored
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sjplimp authored
Small updates and fixes
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sjplimp authored
Updated polarizer.py in USER-DRUDE to use coul/long/cs
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- Feb 08, 2017
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Axel Kohlmeyer authored
(cherry picked from commit 6410797697ddffbd5b47f526dcabd74f67ff6108)
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Axel Kohlmeyer authored
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