sPuReMD: add safe memory allocation functions. Fix issue with certain...
sPuReMD: add safe memory allocation functions. Fix issue with certain parameters for shielded van der Waals interactions not being correctly initialized. Other general refactoring.
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- sPuReMD/src/allocate.c 22 additions, 12 deletionssPuReMD/src/allocate.c
- sPuReMD/src/analyze.c 4 additions, 4 deletionssPuReMD/src/analyze.c
- sPuReMD/src/box.c 18 additions, 14 deletionssPuReMD/src/box.c
- sPuReMD/src/charges.c 25 additions, 19 deletionssPuReMD/src/charges.c
- sPuReMD/src/control.c 3 additions, 3 deletionssPuReMD/src/control.c
- sPuReMD/src/ffield.c 30 additions, 7 deletionssPuReMD/src/ffield.c
- sPuReMD/src/forces.c 18 additions, 107 deletionssPuReMD/src/forces.c
- sPuReMD/src/geo_tools.c 32 additions, 38 deletionssPuReMD/src/geo_tools.c
- sPuReMD/src/grid.c 64 additions, 55 deletionssPuReMD/src/grid.c
- sPuReMD/src/init_md.c 213 additions, 134 deletionssPuReMD/src/init_md.c
- sPuReMD/src/lin_alg.c 155 additions, 42 deletionssPuReMD/src/lin_alg.c
- sPuReMD/src/list.c 14 additions, 11 deletionssPuReMD/src/list.c
- sPuReMD/src/lookup.c 130 additions, 68 deletionssPuReMD/src/lookup.c
- sPuReMD/src/lookup.h 2 additions, 0 deletionssPuReMD/src/lookup.h
- sPuReMD/src/mytypes.h 0 additions, 1 deletionsPuReMD/src/mytypes.h
- sPuReMD/src/neighbors.c 8 additions, 8 deletionssPuReMD/src/neighbors.c
- sPuReMD/src/reset_utils.c 6 additions, 0 deletionssPuReMD/src/reset_utils.c
- sPuReMD/src/system_props.h 1 addition, 3 deletionssPuReMD/src/system_props.h
- sPuReMD/src/testmd.c 8 additions, 9 deletionssPuReMD/src/testmd.c
- sPuReMD/src/tool_box.c 118 additions, 31 deletionssPuReMD/src/tool_box.c
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