diff --git a/src/nn_finder.cpp b/src/nn_finder.cpp index 1fedb4e9d1700c2b7af56652d8b0b28cfa8b84b4..9c41cb4d4fbe4713447c104111ecbf7fc5e8bfdf 100644 --- a/src/nn_finder.cpp +++ b/src/nn_finder.cpp @@ -72,7 +72,7 @@ void NNFinder::calc(Structure &st) { } } void NNFinder::calc(StructureDB &stdb) { - #pragma omp parallel for +#pragma omp parallel for for (size_t s=0; s<stdb.size(); ++s) { calc(stdb(s)); } @@ -85,7 +85,6 @@ bool NNFinder::check_box(Structure &st) { return true; } void NNFinder::num_shifts(Structure &st, int N[3]) { - //Matrix3d cell_inv = st.cell.completeOrthogonalDecomposition().pseudoInverse(); Matrix3d cell_inv = st.cell.inverse(); double l1 = cell_inv.col(0).norm();