PG-PuReMD: port SAI preconditioner from MPI codebase. Rework charge solver...
PG-PuReMD: port SAI preconditioner from MPI codebase. Rework charge solver preconditioner code. Other code clean-up.
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- PG-PuReMD/src/cuda/cuda_allocate.cu 124 additions, 0 deletionsPG-PuReMD/src/cuda/cuda_allocate.cu
- PG-PuReMD/src/cuda/cuda_charges.cu 86 additions, 31 deletionsPG-PuReMD/src/cuda/cuda_charges.cu
- PG-PuReMD/src/cuda/cuda_copy.cu 34 additions, 0 deletionsPG-PuReMD/src/cuda/cuda_copy.cu
- PG-PuReMD/src/cuda/cuda_copy.h 6 additions, 0 deletionsPG-PuReMD/src/cuda/cuda_copy.h
- PG-PuReMD/src/cuda/cuda_init_md.cu 13 additions, 0 deletionsPG-PuReMD/src/cuda/cuda_init_md.cu
- PG-PuReMD/src/cuda/cuda_spar_lin_alg.cu 658 additions, 65 deletionsPG-PuReMD/src/cuda/cuda_spar_lin_alg.cu
- PG-PuReMD/src/cuda/cuda_spar_lin_alg.h 10 additions, 10 deletionsPG-PuReMD/src/cuda/cuda_spar_lin_alg.h
- PG-PuReMD/src/lin_alg.c 6 additions, 6 deletionsPG-PuReMD/src/lin_alg.c
- PG-PuReMD/src/reax_types.h 3 additions, 2 deletionsPG-PuReMD/src/reax_types.h
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