sPuReMD: fix GMRES bug introduced from previous refactoring. Explicitly link...
sPuReMD: fix GMRES bug introduced from previous refactoring. Explicitly link OpenMP for library. Refactoring to remove global variables. Remove unnecessary OpenMP barriers after single regions.
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- sPuReMD/configure.ac 1 addition, 0 deletionssPuReMD/configure.ac
- sPuReMD/src/forces.c 25 additions, 26 deletionssPuReMD/src/forces.c
- sPuReMD/src/forces.h 4 additions, 2 deletionssPuReMD/src/forces.h
- sPuReMD/src/init_md.c 4 additions, 4 deletionssPuReMD/src/init_md.c
- sPuReMD/src/init_md.h 1 addition, 1 deletionsPuReMD/src/init_md.h
- sPuReMD/src/integrate.c 31 additions, 31 deletionssPuReMD/src/integrate.c
- sPuReMD/src/integrate.h 28 additions, 23 deletionssPuReMD/src/integrate.h
- sPuReMD/src/lin_alg.c 332 additions, 259 deletionssPuReMD/src/lin_alg.c
- sPuReMD/src/lookup.c 49 additions, 46 deletionssPuReMD/src/lookup.c
- sPuReMD/src/lookup.h 4 additions, 2 deletionssPuReMD/src/lookup.h
- sPuReMD/src/mytypes.h 68 additions, 64 deletionssPuReMD/src/mytypes.h
- sPuReMD/src/print_utils.c 19 additions, 0 deletionssPuReMD/src/print_utils.c
- sPuReMD/src/spuremd.c 53 additions, 5 deletionssPuReMD/src/spuremd.c
- sPuReMD/src/spuremd.h 7 additions, 0 deletionssPuReMD/src/spuremd.h
- sPuReMD/src/two_body_interactions.c 1 addition, 1 deletionsPuReMD/src/two_body_interactions.c
- sPuReMD/src/vector.h 2 additions, 21 deletionssPuReMD/src/vector.h
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