Searched refs:E2_VARIATIONAL (Results 1 – 1 of 1) sorted by relevance
252 …const double E2_VARIATIONAL = 2 * E2_NONVARIATIONAL + ddot_( &total_size, pointers[ 0 ], &inc1, po… in solve() local269 cout << "CASPT2 : E2 [VARIATIONAL] = " << E2_VARIATIONAL << endl; in solve()270 return E2_VARIATIONAL; in solve()