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PuReMD
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SParTA
PuReMD
Commits
3627c1cd
Commit
3627c1cd
authored
3 years ago
by
Kurt A. O'Hearn
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PG-PuReMD: use a warp of threads to initialize the bonds and hydrogen bonds lists.
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add5b60a
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PG-PuReMD/src/cuda/cuda_bond_orders.h
+4
-4
4 additions, 4 deletions
PG-PuReMD/src/cuda/cuda_bond_orders.h
PG-PuReMD/src/cuda/cuda_forces.cu
+341
-92
341 additions, 92 deletions
PG-PuReMD/src/cuda/cuda_forces.cu
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345 additions
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96 deletions
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