PG-PuReMD: initial implementation of other ensembles.
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- .gitignore 2 additions, 0 deletions.gitignore
- PG-PuReMD/Makefile.am 2 additions, 2 deletionsPG-PuReMD/Makefile.am
- PG-PuReMD/src/box.h 4 additions, 2 deletionsPG-PuReMD/src/box.h
- PG-PuReMD/src/cuda/cuda_allocate.cu 42 additions, 42 deletionsPG-PuReMD/src/cuda/cuda_allocate.cu
- PG-PuReMD/src/cuda/cuda_box.cu 118 additions, 0 deletionsPG-PuReMD/src/cuda/cuda_box.cu
- PG-PuReMD/src/cuda/cuda_box.h 40 additions, 0 deletionsPG-PuReMD/src/cuda/cuda_box.h
- PG-PuReMD/src/cuda/cuda_charges.cu 3 additions, 3 deletionsPG-PuReMD/src/cuda/cuda_charges.cu
- PG-PuReMD/src/cuda/cuda_copy.cu 6 additions, 6 deletionsPG-PuReMD/src/cuda/cuda_copy.cu
- PG-PuReMD/src/cuda/cuda_forces.cu 3 additions, 3 deletionsPG-PuReMD/src/cuda/cuda_forces.cu
- PG-PuReMD/src/cuda/cuda_init_md.cu 5 additions, 7 deletionsPG-PuReMD/src/cuda/cuda_init_md.cu
- PG-PuReMD/src/cuda/cuda_integrate.cu 537 additions, 20 deletionsPG-PuReMD/src/cuda/cuda_integrate.cu
- PG-PuReMD/src/cuda/cuda_integrate.h 11 additions, 3 deletionsPG-PuReMD/src/cuda/cuda_integrate.h
- PG-PuReMD/src/cuda/cuda_lin_alg.cu 2 additions, 2 deletionsPG-PuReMD/src/cuda/cuda_lin_alg.cu
- PG-PuReMD/src/cuda/cuda_neighbors.cu 2 additions, 3 deletionsPG-PuReMD/src/cuda/cuda_neighbors.cu
- PG-PuReMD/src/cuda/cuda_system_props.cu 137 additions, 27 deletionsPG-PuReMD/src/cuda/cuda_system_props.cu
- PG-PuReMD/src/cuda/cuda_system_props.h 3 additions, 0 deletionsPG-PuReMD/src/cuda/cuda_system_props.h
- PG-PuReMD/src/grid.c 7 additions, 4 deletionsPG-PuReMD/src/grid.c
- PG-PuReMD/src/integrate.c 5 additions, 4 deletionsPG-PuReMD/src/integrate.c
- PG-PuReMD/src/neighbors.c 6 additions, 11 deletionsPG-PuReMD/src/neighbors.c
- PG-PuReMD/src/system_props.c 24 additions, 15 deletionsPG-PuReMD/src/system_props.c
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