Reverted the binsize function call from the GPU package in Atom, instead added atom_modify sort with a binsize to ensure matching virial values, enabled the udirect2b kernel, need more work to override dfield0c, and induce() to bypass reverse_comm() for field and fieldp (line amoeba_induce.cpp:111-112)
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@ -2274,7 +2274,6 @@ void Atom::setup_sort_bins()
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#ifdef LMP_GPU
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if (userbinsize == 0.0) {
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int ifix = modify->find_fix("package_gpu");
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/*
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if (ifix >= 0) {
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const double subx = domain->subhi[0] - domain->sublo[0];
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const double suby = domain->subhi[1] - domain->sublo[1];
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@ -2298,7 +2297,6 @@ void Atom::setup_sort_bins()
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bininvy = bininv;
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bininvz = bininv;
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}
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*/
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}
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#endif
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