sPuReMD: fix issue with certain preconditioners not being initialized for runs...
sPuReMD: fix issue with certain preconditioners not being initialized for runs using restart files. Fix issue with part of simulation box struct not being initialized for runs using restart files (box->min). Other code clean-up from debugging issues with SMALL_BOX_SUPPORT.
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- sPuReMD/src/analyze.c 2 additions, 2 deletionssPuReMD/src/analyze.c
- sPuReMD/src/box.c 114 additions, 213 deletionssPuReMD/src/box.c
- sPuReMD/src/charges.c 6 additions, 1 deletionsPuReMD/src/charges.c
- sPuReMD/src/geo_tools.c 4 additions, 4 deletionssPuReMD/src/geo_tools.c
- sPuReMD/src/grid.c 22 additions, 16 deletionssPuReMD/src/grid.c
- sPuReMD/src/grid.h 0 additions, 2 deletionssPuReMD/src/grid.h
- sPuReMD/src/init_md.c 6 additions, 2 deletionssPuReMD/src/init_md.c
- sPuReMD/src/integrate.c 4 additions, 4 deletionssPuReMD/src/integrate.c
- sPuReMD/src/neighbors.c 9 additions, 4 deletionssPuReMD/src/neighbors.c
- sPuReMD/src/reax_types.h 20 additions, 2 deletionssPuReMD/src/reax_types.h
- sPuReMD/src/restart.c 20 additions, 37 deletionssPuReMD/src/restart.c
- sPuReMD/src/spuremd.c 5 additions, 4 deletionssPuReMD/src/spuremd.c
- sPuReMD/src/tool_box.c 7 additions, 3 deletionssPuReMD/src/tool_box.c
- sPuReMD/src/valence_angles.c 27 additions, 3 deletionssPuReMD/src/valence_angles.c
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