PG-PuReMD: only copy host generated grid to device on reneighboring steps...
PG-PuReMD: only copy host generated grid to device on reneighboring steps (after rebinning atoms and regenerating the grid). Fix small NVE integration bug (reallocation checks before copying new atom info to device).
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- PG-PuReMD/src/cuda/cuda_bond_orders.cu 1 addition, 1 deletionPG-PuReMD/src/cuda/cuda_bond_orders.cu
- PG-PuReMD/src/cuda/cuda_environment.cu 15 additions, 2 deletionsPG-PuReMD/src/cuda/cuda_environment.cu
- PG-PuReMD/src/cuda/cuda_init_md.cu 3 additions, 2 deletionsPG-PuReMD/src/cuda/cuda_init_md.cu
- PG-PuReMD/src/cuda/cuda_integrate.cu 23 additions, 8 deletionsPG-PuReMD/src/cuda/cuda_integrate.cu
- PG-PuReMD/src/cuda/cuda_utils.h 6 additions, 4 deletionsPG-PuReMD/src/cuda/cuda_utils.h
- PG-PuReMD/src/reax_types.h 3 additions, 2 deletionsPG-PuReMD/src/reax_types.h
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