diff --git a/src/erichol.cpp b/src/erichol.cpp index 225e644c..e36471fb 100644 --- a/src/erichol.cpp +++ b/src/erichol.cpp @@ -570,7 +570,7 @@ size_t ERIchol::fill(const BasisSet & basis, double cholesky_tol, double shell_r B.shed_cols(m,B.n_cols-1); // and pivot vectors - pi=pi.subvec(0,m); + pi=pi.subvec(0,m-1); // Form the pivot shellpairs form_pivot_shellpairs(basis);