sPuReMD: fix issues with using sizeof with dynamically allocated pointers....
sPuReMD: fix issues with using sizeof with dynamically allocated pointers. Change OpenMP schedule policies for linear algebra code. PuReMD: correct discrepancy with charge matrix construction. Enable dual solver for charges by default.
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- PuReMD/src/charges.c 8 additions, 6 deletionsPuReMD/src/charges.c
- PuReMD/src/forces.c 185 additions, 92 deletionsPuReMD/src/forces.c
- PuReMD/src/init_md.c 12 additions, 8 deletionsPuReMD/src/init_md.c
- PuReMD/src/reax_types.h 1 addition, 1 deletionPuReMD/src/reax_types.h
- sPuReMD/src/charges.c 3 additions, 0 deletionssPuReMD/src/charges.c
- sPuReMD/src/control.c 4 additions, 5 deletionssPuReMD/src/control.c
- sPuReMD/src/ffield.c 29 additions, 32 deletionssPuReMD/src/ffield.c
- sPuReMD/src/geo_tools.c 9 additions, 8 deletionssPuReMD/src/geo_tools.c
- sPuReMD/src/io_tools.c 3 additions, 3 deletionssPuReMD/src/io_tools.c
- sPuReMD/src/lin_alg.c 5 additions, 5 deletionssPuReMD/src/lin_alg.c
- sPuReMD/src/tool_box.c 11 additions, 9 deletionssPuReMD/src/tool_box.c
- sPuReMD/src/tool_box.h 3 additions, 2 deletionssPuReMD/src/tool_box.h
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