diff --git a/reference_data/basis_sets/default/sto-3g.nw b/reference_data/basis_sets/default/sto-3g.nw index cbf63173..ccbeae52 100644 --- a/reference_data/basis_sets/default/sto-3g.nw +++ b/reference_data/basis_sets/default/sto-3g.nw @@ -1,6 +1,6 @@ #---------------------------------------------------------------------- # Basis Set Exchange -# Version 0.11 +# Version 0.12 # https://www.basissetexchange.org #---------------------------------------------------------------------- # Basis set: STO-3G diff --git a/src/chemcache/density/sad_density.cpp b/src/chemcache/density/sad_density.cpp index ed70312c..b87d5c24 100644 --- a/src/chemcache/density/sad_density.cpp +++ b/src/chemcache/density/sad_density.cpp @@ -59,7 +59,7 @@ MODULE_RUN(sad_density) { H.visit(visitor); if(visitor.m_pv == nullptr) throw std::runtime_error("No nuclear terms for SAD density generation"); - const auto nuclei = visitor.m_pv->rhs_particle(); + const auto nuclei = visitor.m_pv->get_rhs_particle(); // Aggregate basis sets and tensors from centers aobs_t aobs;