sPuReMD: refactor and clean up preconditioner application code (level...
sPuReMD: refactor and clean up preconditioner application code (level scheduling, graph coloring, Jacobi iteration). Conditionally change charge matrix for setting up preconditioner for ICHOLT and ILU(T).
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- sPuReMD/src/charges.c 26 additions, 72 deletionssPuReMD/src/charges.c
- sPuReMD/src/init_md.c 100 additions, 12 deletionssPuReMD/src/init_md.c
- sPuReMD/src/lin_alg.c 137 additions, 215 deletionssPuReMD/src/lin_alg.c
- sPuReMD/src/lin_alg.h 5 additions, 3 deletionssPuReMD/src/lin_alg.h
- sPuReMD/src/mytypes.h 25 additions, 1 deletionsPuReMD/src/mytypes.h
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