- Jan 06, 2021
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cmaffeo2 authored
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cmaffeo2 authored
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cmaffeo2 authored
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cmaffeo2 authored
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cmaffeo2 authored
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cmaffeo2 authored
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cmaffeo2 authored
Preliminary implementation of multi-gpu communication for nonbonded force calculation; energy kernel not yet implemented
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cmaffeo2 authored
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cmaffeo2 authored
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cmaffeo2 authored
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cmaffeo2 authored
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cmaffeo2 authored
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cmaffeo2 authored
Don't use warp aggregated intrinsics; the compiler for cuda9 and on can do a better job\n\nMaybe older versions of cuda would also perform better
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cmaffeo2 authored
Initial port to cuda11: include c++14 std, use texture objects instead of deprecated texture refs, squash warnings
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cmaffeo2 authored
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cmaffeo2 authored
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- Dec 30, 2020
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cmaffeo2 authored
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- Sep 01, 2020
- Aug 11, 2020
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cmaffeo2 authored
Added 4-particle vecangle potential; untested, and configuration.cpp still needs to build the potential dictionary using type,filename tuples as keys
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cmaffeo2 authored
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cmaffeo2 authored
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cmaffeo2 authored
Changed BondAngle to be the product of the energy of potentials applied to the central bond and two angles formed by four particles
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cmaffeo2 authored
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cmaffeo2 authored
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- Jul 31, 2020
- Jun 23, 2020
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cmaffeo2 authored
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- Jun 22, 2020
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cmaffeo2 authored
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- Jan 21, 2020
- Nov 25, 2019
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cmaffeo2 authored
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- Oct 29, 2019