PG-PuReMD: split bond and hbond initialization kernels for future...
PG-PuReMD: split bond and hbond initialization kernels for future optimizations. Cleanup CUDA code related to far neighbor list being in full format (remove unnecessary conditionals and arithmetic).
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- PG-PuReMD/src/allocate.c 21 additions, 24 deletionsPG-PuReMD/src/allocate.c
- PG-PuReMD/src/cuda/cuda_allocate.cu 132 additions, 153 deletionsPG-PuReMD/src/cuda/cuda_allocate.cu
- PG-PuReMD/src/cuda/cuda_allocate.h 2 additions, 2 deletionsPG-PuReMD/src/cuda/cuda_allocate.h
- PG-PuReMD/src/cuda/cuda_bond_orders.cu 1 addition, 5 deletionsPG-PuReMD/src/cuda/cuda_bond_orders.cu
- PG-PuReMD/src/cuda/cuda_bond_orders.h 60 additions, 165 deletionsPG-PuReMD/src/cuda/cuda_bond_orders.h
- PG-PuReMD/src/cuda/cuda_forces.cu 565 additions, 327 deletionsPG-PuReMD/src/cuda/cuda_forces.cu
- PG-PuReMD/src/cuda/cuda_init_md.cu 2 additions, 2 deletionsPG-PuReMD/src/cuda/cuda_init_md.cu
- PG-PuReMD/src/cuda/cuda_integrate.cu 8 additions, 8 deletionsPG-PuReMD/src/cuda/cuda_integrate.cu
- PG-PuReMD/src/cuda/cuda_neighbors.cu 41 additions, 97 deletionsPG-PuReMD/src/cuda/cuda_neighbors.cu
- PG-PuReMD/src/cuda/cuda_nonbonded.cu 36 additions, 75 deletionsPG-PuReMD/src/cuda/cuda_nonbonded.cu
- PG-PuReMD/src/cuda/cuda_reset_tools.cu 19 additions, 7 deletionsPG-PuReMD/src/cuda/cuda_reset_tools.cu
- PG-PuReMD/src/cuda/cuda_valence_angles.cu 6 additions, 86 deletionsPG-PuReMD/src/cuda/cuda_valence_angles.cu
- PG-PuReMD/src/forces.c 589 additions, 438 deletionsPG-PuReMD/src/forces.c
- PG-PuReMD/src/forces.h 1 addition, 1 deletionPG-PuReMD/src/forces.h
- PG-PuReMD/src/init_md.c 3 additions, 2 deletionsPG-PuReMD/src/init_md.c
- PG-PuReMD/src/reset_tools.c 14 additions, 38 deletionsPG-PuReMD/src/reset_tools.c
- PG-PuReMD/src/reset_tools.h 0 additions, 3 deletionsPG-PuReMD/src/reset_tools.h
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