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6adc964a

Commit 6adc964a authored 4 years ago by Kurt A. O'Hearn

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PG-PuReMD: change NaN floating point checks on energies to also include infinity values.

parent 325946e6

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Changes 6

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PG-PuReMD/src/box.c 3 additions, 3 deletions

PG-PuReMD/src/box.c
PG-PuReMD/src/comm_tools.c 2 additions, 2 deletions

PG-PuReMD/src/comm_tools.c
PG-PuReMD/src/lin_alg.c 2 additions, 4 deletions

PG-PuReMD/src/lin_alg.c
PG-PuReMD/src/puremd.c 7 additions, 3 deletions

PG-PuReMD/src/puremd.c
PG-PuReMD/src/reax_types.h 0 additions, 9 deletions

PG-PuReMD/src/reax_types.h
PG-PuReMD/src/system_props.c 6 additions, 6 deletions

PG-PuReMD/src/system_props.c

with 20 additions and 27 deletions

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