PG-PuReMD: add OpenMP support for SAI preconditioner computation...
PG-PuReMD: add OpenMP support for SAI preconditioner computation (--enable-openmp=yes flag in configure script). Other code clean-up.
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- Makefile.am 3 additions, 3 deletionsMakefile.am
- PG-PuReMD/src/control.c 90 additions, 79 deletionsPG-PuReMD/src/control.c
- PG-PuReMD/src/cuda/cuda_charges.cu 0 additions, 9 deletionsPG-PuReMD/src/cuda/cuda_charges.cu
- PG-PuReMD/src/cuda/cuda_init_md.cu 19 additions, 0 deletionsPG-PuReMD/src/cuda/cuda_init_md.cu
- PG-PuReMD/src/init_md.c 19 additions, 15 deletionsPG-PuReMD/src/init_md.c
- PG-PuReMD/src/init_md.h 0 additions, 3 deletionsPG-PuReMD/src/init_md.h
- PG-PuReMD/src/lin_alg.c 185 additions, 162 deletionsPG-PuReMD/src/lin_alg.c
- PG-PuReMD/src/reax_types.h 8 additions, 0 deletionsPG-PuReMD/src/reax_types.h
- configure.ac 29 additions, 4 deletionsconfigure.ac
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