sPuReMD: fix issue with SMALL_BOX_SUPPORT incorrectly computing pairwise...
sPuReMD: fix issue with SMALL_BOX_SUPPORT incorrectly computing pairwise atomic distances for periodic self-images. Fix issue with integer vector sum function (used in bond order and torsion interactions).
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- sPuReMD/src/box.c 23 additions, 24 deletionssPuReMD/src/box.c
- sPuReMD/src/box.h 1 addition, 1 deletionsPuReMD/src/box.h
- sPuReMD/src/forces.c 22 additions, 13 deletionssPuReMD/src/forces.c
- sPuReMD/src/init_md.c 0 additions, 4 deletionssPuReMD/src/init_md.c
- sPuReMD/src/integrate.c 16 additions, 106 deletionssPuReMD/src/integrate.c
- sPuReMD/src/system_props.c 5 additions, 4 deletionssPuReMD/src/system_props.c
- sPuReMD/src/tool_box.c 14 additions, 5 deletionssPuReMD/src/tool_box.c
- sPuReMD/src/torsion_angles.c 12 additions, 3 deletionssPuReMD/src/torsion_angles.c
- sPuReMD/src/vector.h 5 additions, 5 deletionssPuReMD/src/vector.h
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