OP_DEFINE-SECTION title modified Henon-Heiles PES end-title end-op_define-section PARAMETER-SECTION mass_X = 1.0 mass_Y = 1.0 lambda = 0.2 , au end-parameter-section HAMILTONIAN-SECTION ------------------------------- modes | X | Y ------------------------------- 1.0 | KE | 1 0.5 | q^2 | 1 -lambda/3.0 | q^3 | 1 lambda^2/16.0 | q^4 | 1 1.0 | 1 | KE 0.5 | 1 | q^2 lambda^2/16.0 | 1 | q^4 lambda | q | q^2 lambda^2/8.0 | q^2 | q^2 ------------------------------- end-hamiltonian-section end-operator