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fa2b20a7

Commit fa2b20a7 authored 5 years ago by Kurt A. O'Hearn

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sPuReMD: more fixes for pressure calculations.

parent 7a02def2

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Changes 7

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sPuReMD/src/bond_orders.c 5 additions, 5 deletions

sPuReMD/src/bond_orders.c
sPuReMD/src/hydrogen_bonds.c 2 additions, 2 deletions

sPuReMD/src/hydrogen_bonds.c
sPuReMD/src/nonbonded.c 2 additions, 2 deletions

sPuReMD/src/nonbonded.c
sPuReMD/src/reax_types.h 28 additions, 28 deletions

sPuReMD/src/reax_types.h
sPuReMD/src/system_props.c 1 addition, 3 deletions

sPuReMD/src/system_props.c
sPuReMD/src/torsion_angles.c 4 additions, 4 deletions

sPuReMD/src/torsion_angles.c
sPuReMD/src/valence_angles.c 2 additions, 2 deletions

sPuReMD/src/valence_angles.c

with 44 additions and 46 deletions

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