sPuReMD: backport changes for reax_list, struct declaration/definition...
sPuReMD: backport changes for reax_list, struct declaration/definition separation, interaction_function.
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- sPuReMD/src/allocate.c 11 additions, 12 deletionssPuReMD/src/allocate.c
- sPuReMD/src/allocate.h 1 addition, 1 deletionsPuReMD/src/allocate.h
- sPuReMD/src/analyze.c 10 additions, 10 deletionssPuReMD/src/analyze.c
- sPuReMD/src/analyze.h 1 addition, 1 deletionsPuReMD/src/analyze.h
- sPuReMD/src/bond_orders.c 78 additions, 72 deletionssPuReMD/src/bond_orders.c
- sPuReMD/src/bond_orders.h 1 addition, 1 deletionsPuReMD/src/bond_orders.h
- sPuReMD/src/box.h 1 addition, 1 deletionsPuReMD/src/box.h
- sPuReMD/src/charges.h 1 addition, 1 deletionsPuReMD/src/charges.h
- sPuReMD/src/control.h 1 addition, 1 deletionsPuReMD/src/control.h
- sPuReMD/src/ffield.c 3 additions, 3 deletionssPuReMD/src/ffield.c
- sPuReMD/src/ffield.h 1 addition, 1 deletionsPuReMD/src/ffield.h
- sPuReMD/src/forces.c 90 additions, 76 deletionssPuReMD/src/forces.c
- sPuReMD/src/forces.h 3 additions, 5 deletionssPuReMD/src/forces.h
- sPuReMD/src/four_body_interactions.c 2 additions, 2 deletionssPuReMD/src/four_body_interactions.c
- sPuReMD/src/four_body_interactions.h 1 addition, 1 deletionsPuReMD/src/four_body_interactions.h
- sPuReMD/src/geo_tools.h 1 addition, 1 deletionsPuReMD/src/geo_tools.h
- sPuReMD/src/grid.h 1 addition, 1 deletionsPuReMD/src/grid.h
- sPuReMD/src/init_md.c 26 additions, 26 deletionssPuReMD/src/init_md.c
- sPuReMD/src/init_md.h 2 additions, 2 deletionssPuReMD/src/init_md.h
- sPuReMD/src/integrate.c 13 additions, 23 deletionssPuReMD/src/integrate.c
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