Conditionally enable using full far neighbors list and charge matrix. (285872cf) · Commits · SParTA / PuReMD · GitLab

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285872cf

Commit 285872cf authored 6 years ago by Kurt A. O'Hearn

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Conditionally enable using full far neighbors list and charge matrix.

parent 9859df39

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Changes 6

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PG-PuReMD/src/bond_orders.c 54 additions, 27 deletions

PG-PuReMD/src/bond_orders.c
PG-PuReMD/src/forces.c 90 additions, 6 deletions

PG-PuReMD/src/forces.c
PG-PuReMD/src/grid.c 19 additions, 18 deletions

PG-PuReMD/src/grid.c
PG-PuReMD/src/lin_alg.c 12 additions, 0 deletions

PG-PuReMD/src/lin_alg.c
PG-PuReMD/src/neighbors.c 26 additions, 8 deletions

PG-PuReMD/src/neighbors.c
PG-PuReMD/src/reax_types.h 2 additions, 0 deletions

PG-PuReMD/src/reax_types.h

with 203 additions and 59 deletions

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