PG-PuReMD: changes to sparse matrix allocation. Other general refactoring.
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- PG-PuReMD/src/allocate.c 10 additions, 10 deletionsPG-PuReMD/src/allocate.c
- PG-PuReMD/src/basic_comm.c 2 additions, 2 deletionsPG-PuReMD/src/basic_comm.c
- PG-PuReMD/src/bond_orders.c 1 addition, 1 deletionPG-PuReMD/src/bond_orders.c
- PG-PuReMD/src/charges.c 44 additions, 38 deletionsPG-PuReMD/src/charges.c
- PG-PuReMD/src/comm_tools.c 3 additions, 3 deletionsPG-PuReMD/src/comm_tools.c
- PG-PuReMD/src/control.c 16 additions, 18 deletionsPG-PuReMD/src/control.c
- PG-PuReMD/src/cuda_allocate.cu 44 additions, 51 deletionsPG-PuReMD/src/cuda_allocate.cu
- PG-PuReMD/src/cuda_allocate.h 9 additions, 0 deletionsPG-PuReMD/src/cuda_allocate.h
- PG-PuReMD/src/cuda_bond_orders.cu 1 addition, 1 deletionPG-PuReMD/src/cuda_bond_orders.cu
- PG-PuReMD/src/cuda_charges.cu 5 additions, 3 deletionsPG-PuReMD/src/cuda_charges.cu
- PG-PuReMD/src/cuda_environment.cu 2 additions, 2 deletionsPG-PuReMD/src/cuda_environment.cu
- PG-PuReMD/src/cuda_forces.cu 133 additions, 149 deletionsPG-PuReMD/src/cuda_forces.cu
- PG-PuReMD/src/cuda_forces.h 1 addition, 4 deletionsPG-PuReMD/src/cuda_forces.h
- PG-PuReMD/src/cuda_list.cu 2 additions, 2 deletionsPG-PuReMD/src/cuda_list.cu
- PG-PuReMD/src/cuda_neighbors.cu 17 additions, 0 deletionsPG-PuReMD/src/cuda_neighbors.cu
- PG-PuReMD/src/cuda_neighbors.h 2 additions, 0 deletionsPG-PuReMD/src/cuda_neighbors.h
- PG-PuReMD/src/cuda_torsion_angles.cu 90 additions, 56 deletionsPG-PuReMD/src/cuda_torsion_angles.cu
- PG-PuReMD/src/cuda_utils.cu 7 additions, 7 deletionsPG-PuReMD/src/cuda_utils.cu
- PG-PuReMD/src/cuda_utils.h 3 additions, 3 deletionsPG-PuReMD/src/cuda_utils.h
- PG-PuReMD/src/cuda_validation.cu 49 additions, 27 deletionsPG-PuReMD/src/cuda_validation.cu
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