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2f8e8687

Commit 2f8e8687 authored 4 years ago by Kurt A. O'Hearn

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PG-PuReMD: use a warp of threads for addtional bonded interaction computations...

PG-PuReMD: use a warp of threads for addtional bonded interaction computations (bond orders, bonds, lone pair/over/under).

parent adb97704

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PG-PuReMD/src/cuda/cuda_bond_orders.cu 251 additions, 11 deletions

PG-PuReMD/src/cuda/cuda_bond_orders.cu
PG-PuReMD/src/cuda/cuda_bonds.cu 155 additions, 4 deletions

PG-PuReMD/src/cuda/cuda_bonds.cu
PG-PuReMD/src/cuda/cuda_multi_body.cu 242 additions, 2 deletions

PG-PuReMD/src/cuda/cuda_multi_body.cu
PG-PuReMD/src/multi_body.c 1 addition, 2 deletions

PG-PuReMD/src/multi_body.c

with 649 additions and 19 deletions

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