run (FB-IVR) name = metrop_s03/locharm_metrop_s03 with HK-IVR * gamma = { 12.000000 } * overlap = coherent * prefactor = local_harmonic_prefactor * hess = normal * mc->nmccalc = 100000 * mc->seed = 2650506 * mc->generating method = * mc->nmcsmall = 100 potential Morse Oscillator * dimension = 1 * masses = { 1.000000 } * D = { 30.000000 } * BETA = { 0.080000 } * R0 = { 0.000000 } integrator Manolopoulos * DT = 0.100000 * NT = 300 INITIAL_CONDITIONS * position = { 0.000000 } * velocity = { 0.000000 } # Morse # Manolopoulos Initialization random number generator with seed 2650506. sampling mass = 1.000000 #Starting 0 Growing: 0.768208, Rate: 0.643000 #Starting 1 Growing: 9.218495, Rate: 0.644000 #delta_q : 0.768208 #delta_v : 9.218495 acc: 0 ; rej = 0 Done with Monte Carlo : nruns = 100000 ; nnorm = 273260.000000 w_to_date = 273260.000000 ; mc->nnorm = 273260.000000