.. _cassd: .. program:: cassd .. default-role:: option ===== CASSD ===== Selected |CAS-SD|. EZFIO parameters ---------------- .. option:: energy Calculated CAS-SD energy .. option:: energy_pt2 Calculated selected CAS-SD energy with PT2 correction .. option:: do_ddci If true, remove purely inactive double excitations Default: False .. option:: do_only_1h1p If true, do only one hole/one particle excitations Default: False .. option:: do_singles If true, do only single excitations Default: True .. option:: do_doubles If true, do only double excitations Default: True