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4e346c2de6
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Refactored neighbor list builds and per-atom reallocation parts
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2021-09-07 13:05:57 -05:00 |
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785a794d39
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Added and renamed API to make room for additional kernels (udirect2b only computes the field and fieldp, not accumulating forces, energies, nor virials)
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2021-09-01 14:37:11 -05:00 |
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07b60827c4
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Working on the udirect2b kernel for the induce real space term, need to add the API for the GPU library
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2021-09-01 12:30:41 -05:00 |
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3825fee8e9
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Added work on amoeba/gpu, some minor changes to PairAmoeba to allow function overriding in PairAmoebaGPU, added the package AMOEBA to cmake/CMakeLists.txt
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2021-08-25 22:57:37 -05:00 |
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