PG-PuReMD: prune Verlet list entries (small cut-off for ghost-ghost atom interactions). (c119c32c) · Commits · SParTA / PuReMD · GitLab

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c119c32c

Commit c119c32c authored 2 years ago by Kurt A. O'Hearn

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PG-PuReMD: prune Verlet list entries (small cut-off for ghost-ghost atom interactions).

parent af3130f8

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Changes 7

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PG-PuReMD/src/cuda/cuda_neighbors.cu 71 additions, 21 deletions

PG-PuReMD/src/cuda/cuda_neighbors.cu
PG-PuReMD/src/grid.c 37 additions, 37 deletions

PG-PuReMD/src/grid.c
PG-PuReMD/src/init_md.c 2 additions, 2 deletions

PG-PuReMD/src/init_md.c
PG-PuReMD/src/integrate.c 8 additions, 8 deletions

PG-PuReMD/src/integrate.c
PG-PuReMD/src/neighbors.c 335 additions, 50 deletions

PG-PuReMD/src/neighbors.c
PG-PuReMD/src/neighbors.h 4 additions, 2 deletions

PG-PuReMD/src/neighbors.h
PG-PuReMD/src/puremd.c 1 addition, 1 deletion

PG-PuReMD/src/puremd.c

with 458 additions and 121 deletions

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