PuReMD-old: change from array of structs to struct of arrays for far nbr list (far_neighbor_data). (ef2bcd8a) · Commits · SParTA / PuReMD · GitLab

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ef2bcd8a

Commit ef2bcd8a authored 6 years ago by Kurt A. O'Hearn

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PuReMD-old: change from array of structs to struct of arrays for far nbr list (far_neighbor_data).

parent ad57c13b

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PuReMD/src/bond_orders.c 13 additions, 15 deletions

PuReMD/src/bond_orders.c
PuReMD/src/bond_orders.h 1 addition, 1 deletion

PuReMD/src/bond_orders.h
PuReMD/src/forces.c 107 additions, 106 deletions

PuReMD/src/forces.c
PuReMD/src/hydrogen_bonds.c 13 additions, 11 deletions

PuReMD/src/hydrogen_bonds.c
PuReMD/src/io_tools.c 14 additions, 11 deletions

PuReMD/src/io_tools.c
PuReMD/src/list.c 35 additions, 26 deletions

PuReMD/src/list.c
PuReMD/src/neighbors.c 5 additions, 7 deletions

PuReMD/src/neighbors.c
PuReMD/src/nonbonded.c 58 additions, 47 deletions

PuReMD/src/nonbonded.c
PuReMD/src/parallelreax.c 0 additions, 1 deletion

PuReMD/src/parallelreax.c
PuReMD/src/reax_types.h 15 additions, 6 deletions

PuReMD/src/reax_types.h

with 261 additions and 231 deletions

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