PG-PuReMD: fix issue with MPI outgoinging buffer size. Refactor MPI...
PG-PuReMD: fix issue with MPI outgoinging buffer size. Refactor MPI communication code for better encapsulation. Continue cleaning up linear solver code.
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- PG-PuReMD/src/allocate.c 7 additions, 3 deletionsPG-PuReMD/src/allocate.c
- PG-PuReMD/src/basic_comm.c 150 additions, 84 deletionsPG-PuReMD/src/basic_comm.c
- PG-PuReMD/src/basic_comm.h 7 additions, 19 deletionsPG-PuReMD/src/basic_comm.h
- PG-PuReMD/src/charges.c 7 additions, 10 deletionsPG-PuReMD/src/charges.c
- PG-PuReMD/src/cuda/cuda_charges.cu 1 addition, 1 deletionPG-PuReMD/src/cuda/cuda_charges.cu
- PG-PuReMD/src/cuda/cuda_forces.cu 1 addition, 2 deletionsPG-PuReMD/src/cuda/cuda_forces.cu
- PG-PuReMD/src/cuda/cuda_lin_alg.cu 8 additions, 8 deletionsPG-PuReMD/src/cuda/cuda_lin_alg.cu
- PG-PuReMD/src/forces.c 13 additions, 14 deletionsPG-PuReMD/src/forces.c
- PG-PuReMD/src/lin_alg.c 68 additions, 709 deletionsPG-PuReMD/src/lin_alg.c
- PG-PuReMD/src/lin_alg.h 11 additions, 15 deletionsPG-PuReMD/src/lin_alg.h
- PG-PuReMD/src/reax_types.h 1 addition, 5 deletionsPG-PuReMD/src/reax_types.h
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