sPuReMD: add checks on string and file handling. Rewrite PDB writing to be...
sPuReMD: add checks on string and file handling. Rewrite PDB writing to be line-by-line. Other refactoring.
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- sPuReMD/src/analyze.c 109 additions, 40 deletionssPuReMD/src/analyze.c
- sPuReMD/src/charges.c 6 additions, 6 deletionssPuReMD/src/charges.c
- sPuReMD/src/control.c 75 additions, 75 deletionssPuReMD/src/control.c
- sPuReMD/src/geo_tools.c 42 additions, 100 deletionssPuReMD/src/geo_tools.c
- sPuReMD/src/grid.c 1 addition, 1 deletionsPuReMD/src/grid.c
- sPuReMD/src/init_md.c 126 additions, 178 deletionssPuReMD/src/init_md.c
- sPuReMD/src/print_utils.c 32 additions, 32 deletionssPuReMD/src/print_utils.c
- sPuReMD/src/restart.c 31 additions, 19 deletionssPuReMD/src/restart.c
- sPuReMD/src/single_body_interactions.c 2 additions, 2 deletionssPuReMD/src/single_body_interactions.c
- sPuReMD/src/spuremd.c 4 additions, 15 deletionssPuReMD/src/spuremd.c
- sPuReMD/src/tool_box.c 86 additions, 24 deletionssPuReMD/src/tool_box.c
- sPuReMD/src/tool_box.h 3 additions, 2 deletionssPuReMD/src/tool_box.h
- sPuReMD/src/two_body_interactions.c 1 addition, 1 deletionsPuReMD/src/two_body_interactions.c
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