Searched defs:Nelectrons (Results 1 – 3 of 3) sorted by relevance
189 double CheMPS2::CASSCF::caspt2( const int Nelectrons, const int TwoS, const int Irrep, ConvergenceS… in caspt2()
56 double CheMPS2::CASSCF::solve( const int Nelectrons, const int TwoS, const int Irrep, ConvergenceSc… in solve()
113 guint Nelectrons; variable