sPuReMD: merge changes from branch 'new_setup'. Rework interface for geometry...
sPuReMD: merge changes from branch 'new_setup'. Rework interface for geometry initialization without file I/O. Other code clean-up.
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- sPuReMD/src/allocate.c 40 additions, 31 deletionssPuReMD/src/allocate.c
- sPuReMD/src/allocate.h 2 additions, 2 deletionssPuReMD/src/allocate.h
- sPuReMD/src/control.c 1 addition, 1 deletionsPuReMD/src/control.c
- sPuReMD/src/geo_tools.c 14 additions, 13 deletionssPuReMD/src/geo_tools.c
- sPuReMD/src/init_md.c 44 additions, 22 deletionssPuReMD/src/init_md.c
- sPuReMD/src/restart.c 5 additions, 16 deletionssPuReMD/src/restart.c
- sPuReMD/src/spuremd.c 320 additions, 177 deletionssPuReMD/src/spuremd.c
- sPuReMD/src/spuremd.h 10 additions, 0 deletionssPuReMD/src/spuremd.h
- sPuReMD/src/tool_box.c 2 additions, 2 deletionssPuReMD/src/tool_box.c
- sPuReMD/src/tool_box.h 1 addition, 1 deletionsPuReMD/src/tool_box.h
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