PG-PuReMD: fix compilation error (remove variable). Fix issue with dual CG...
PG-PuReMD: fix compilation error (remove variable). Fix issue with dual CG solver for QEq (local arithmetic in SpMV was incorrect). Revert CG solver convergence criterion to use norm of the preconditioned residual vector.
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- PG-PuReMD/src/charges.c 3 additions, 2 deletionsPG-PuReMD/src/charges.c
- PG-PuReMD/src/cuda/cuda_allocate.cu 0 additions, 9 deletionsPG-PuReMD/src/cuda/cuda_allocate.cu
- PG-PuReMD/src/cuda/cuda_charges.cu 8 additions, 6 deletionsPG-PuReMD/src/cuda/cuda_charges.cu
- PG-PuReMD/src/cuda/cuda_spar_lin_alg.cu 36 additions, 19 deletionsPG-PuReMD/src/cuda/cuda_spar_lin_alg.cu
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