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Merge branch 'master' into improve-eval-gto
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wxj6000 authored Jan 1, 2024
2 parents 07e0431 + 2e5bc47 commit a03f9b2
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1 change: 1 addition & 0 deletions gpu4pyscf/lib/gdft/gen_grids.cu
Original file line number Diff line number Diff line change
Expand Up @@ -40,6 +40,7 @@ int ngrids, int natm)
__shared__ double zj[NATOM_PER_BLOCK];
__shared__ double a_smem[NATOM_PER_BLOCK];
__shared__ double dij_smem[NATOM_PER_BLOCK];

const int tx = threadIdx.x;

for (int atom_i = 0; atom_i < natm; atom_i++){
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