Reading potential energies... 10000 lines read, processing 10000 snapshots Reading phi, psi trajectories... k = 0, 10000 phi lines read, 10000 psi lines read k = 1, 10000 phi lines read, 10000 psi lines read k = 2, 10000 phi lines read, 10000 psi lines read k = 3, 10000 phi lines read, 10000 psi lines read k = 4, 10000 phi lines read, 10000 psi lines read k = 5, 10000 phi lines read, 10000 psi lines read k = 6, 10000 phi lines read, 10000 psi lines read k = 7, 10000 phi lines read, 10000 psi lines read k = 8, 10000 phi lines read, 10000 psi lines read k = 9, 10000 phi lines read, 10000 psi lines read k = 10, 10000 phi lines read, 10000 psi lines read k = 11, 10000 phi lines read, 10000 psi lines read k = 12, 10000 phi lines read, 10000 psi lines read k = 13, 10000 phi lines read, 10000 psi lines read k = 14, 10000 phi lines read, 10000 psi lines read k = 15, 10000 phi lines read, 10000 psi lines read k = 16, 10000 phi lines read, 10000 psi lines read k = 17, 10000 phi lines read, 10000 psi lines read k = 18, 10000 phi lines read, 10000 psi lines read k = 19, 10000 phi lines read, 10000 psi lines read k = 20, 10000 phi lines read, 10000 psi lines read k = 21, 10000 phi lines read, 10000 psi lines read k = 22, 10000 phi lines read, 10000 psi lines read k = 23, 10000 phi lines read, 10000 psi lines read k = 24, 10000 phi lines read, 10000 psi lines read k = 25, 10000 phi lines read, 10000 psi lines read k = 26, 10000 phi lines read, 10000 psi lines read k = 27, 10000 phi lines read, 10000 psi lines read k = 28, 10000 phi lines read, 10000 psi lines read k = 29, 10000 phi lines read, 10000 psi lines read k = 30, 10000 phi lines read, 10000 psi lines read k = 31, 10000 phi lines read, 10000 psi lines read k = 32, 10000 phi lines read, 10000 psi lines read k = 33, 10000 phi lines read, 10000 psi lines read k = 34, 10000 phi lines read, 10000 psi lines read k = 35, 10000 phi lines read, 10000 psi lines read k = 36, 10000 phi lines read, 10000 psi lines read k = 37, 10000 phi lines read, 10000 psi lines read k = 38, 10000 phi lines read, 10000 psi lines read k = 39, 10000 phi lines read, 10000 psi lines read Reading replica indices... Replica indices for 500 iterations processed. Permuting data by replica... Computing statistical inefficiencies... g_cos(phi) = 5.6 g_sin(phi) = 11.2 g_cos(psi) = 182.9 g_sin(psi) = 52.6 Subsampling data... Using g = 182.9 to obtain 55 uncorrelated samples per temperature 55 uncorrelated samples per temperature Computing reduced potential energies... Binning torsions... 64 bins were populated: bin 0 (-162.0, -162.0) 55 conformations bin 1 (-162.0, -126.0) 7 conformations bin 2 (-162.0, -90.0) 9 conformations bin 3 (-162.0, -54.0) 25 conformations bin 4 (-162.0, -18.0) 5 conformations bin 5 (-162.0, 18.0) 6 conformations bin 6 (-162.0, 54.0) 10 conformations bin 7 (-162.0, 90.0) 34 conformations bin 8 (-162.0, 126.0) 127 conformations bin 9 (-162.0, 162.0) 207 conformations bin 10 (-126.0, -162.0) 65 conformations bin 11 (-126.0, -126.0) 21 conformations bin 12 (-126.0, -90.0) 26 conformations bin 13 (-126.0, -54.0) 42 conformations bin 14 (-126.0, -18.0) 17 conformations bin 15 (-126.0, 18.0) 11 conformations bin 16 (-126.0, 54.0) 16 conformations bin 17 (-126.0, 90.0) 44 conformations bin 18 (-126.0, 126.0) 162 conformations bin 19 (-126.0, 162.0) 215 conformations bin 20 ( -90.0, -162.0) 39 conformations bin 21 ( -90.0, -126.0) 7 conformations bin 22 ( -90.0, -90.0) 15 conformations bin 23 ( -90.0, -54.0) 47 conformations bin 24 ( -90.0, -18.0) 23 conformations bin 25 ( -90.0, 18.0) 8 conformations bin 26 ( -90.0, 54.0) 12 conformations bin 27 ( -90.0, 90.0) 50 conformations bin 28 ( -90.0, 126.0) 144 conformations bin 29 ( -90.0, 162.0) 169 conformations bin 30 ( -54.0, -162.0) 9 conformations bin 31 ( -54.0, -126.0) 2 conformations bin 32 ( -54.0, -90.0) 6 conformations bin 33 ( -54.0, -54.0) 79 conformations bin 34 ( -54.0, -18.0) 18 conformations bin 35 ( -54.0, 18.0) 2 conformations bin 36 ( -54.0, 54.0) 8 conformations bin 37 ( -54.0, 90.0) 34 conformations bin 38 ( -54.0, 126.0) 203 conformations bin 39 ( -54.0, 162.0) 169 conformations bin 40 ( -18.0, -90.0) 1 conformations bin 41 ( -18.0, -54.0) 3 conformations bin 42 ( -18.0, 126.0) 9 conformations bin 43 ( -18.0, 162.0) 2 conformations bin 44 ( 18.0, -90.0) 2 conformations bin 45 ( 18.0, 18.0) 1 conformations bin 46 ( 18.0, 54.0) 1 conformations bin 47 ( 54.0, -162.0) 4 conformations bin 48 ( 54.0, -126.0) 5 conformations bin 49 ( 54.0, -90.0) 2 conformations bin 50 ( 54.0, -54.0) 3 conformations bin 51 ( 54.0, 54.0) 5 conformations bin 52 ( 54.0, 90.0) 1 conformations bin 53 ( 90.0, -162.0) 1 conformations bin 54 ( 90.0, -126.0) 1 conformations bin 55 ( 90.0, -90.0) 1 conformations bin 56 ( 90.0, -18.0) 1 conformations bin 57 ( 126.0, -162.0) 1 conformations bin 58 ( 126.0, -90.0) 1 conformations bin 59 ( 126.0, -54.0) 1 conformations bin 60 ( 126.0, 126.0) 1 conformations bin 61 ( 162.0, 90.0) 1 conformations bin 62 ( 162.0, 126.0) 1 conformations bin 63 ( 162.0, 162.0) 3 conformations Using WHAM to generate histogram-based initial guess of dimensionless free energies f_k... Bin width is 13.204313 energy units to achieve nbins = 100 iteration 0 relative max_delta = 1.000000e+00 iteration 1 relative max_delta = 3.643216e-03 iteration 2 relative max_delta = 3.564631e-03 iteration 3 relative max_delta = 3.492226e-03 iteration 4 relative max_delta = 3.420042e-03 iteration 5 relative max_delta = 3.344494e-03 iteration 6 relative max_delta = 3.264399e-03 iteration 7 relative max_delta = 3.179259e-03 iteration 8 relative max_delta = 3.087415e-03 iteration 9 relative max_delta = 2.986351e-03 iteration 10 relative max_delta = 2.874228e-03 iteration 11 relative max_delta = 2.753325e-03 iteration 12 relative max_delta = 2.631625e-03 iteration 13 relative max_delta = 2.518825e-03 iteration 14 relative max_delta = 2.419984e-03 iteration 15 relative max_delta = 2.334146e-03 iteration 16 relative max_delta = 2.257666e-03 iteration 17 relative max_delta = 2.187293e-03 iteration 18 relative max_delta = 2.121134e-03 iteration 19 relative max_delta = 2.058395e-03 iteration 20 relative max_delta = 1.998846e-03 iteration 21 relative max_delta = 1.942462e-03 iteration 22 relative max_delta = 1.889244e-03 iteration 23 relative max_delta = 1.839146e-03 iteration 24 relative max_delta = 1.792065e-03 iteration 25 relative max_delta = 1.747845e-03 iteration 26 relative max_delta = 1.706293e-03 iteration 27 relative max_delta = 1.667190e-03 iteration 28 relative max_delta = 1.630313e-03 iteration 29 relative max_delta = 1.595446e-03 iteration 30 relative max_delta = 1.562382e-03 iteration 31 relative max_delta = 1.530926e-03 iteration 32 relative max_delta = 1.500905e-03 iteration 33 relative max_delta = 1.472168e-03 iteration 34 relative max_delta = 1.444596e-03 iteration 35 relative max_delta = 1.418097e-03 iteration 36 relative max_delta = 1.392602e-03 iteration 37 relative max_delta = 1.368057e-03 iteration 38 relative max_delta = 1.344419e-03 iteration 39 relative max_delta = 1.321648e-03 iteration 40 relative max_delta = 1.299708e-03 iteration 41 relative max_delta = 1.278561e-03 iteration 42 relative max_delta = 1.258171e-03 iteration 43 relative max_delta = 1.238500e-03 iteration 44 relative max_delta = 1.219509e-03 iteration 45 relative max_delta = 1.201161e-03 iteration 46 relative max_delta = 1.183415e-03 iteration 47 relative max_delta = 1.166236e-03 iteration 48 relative max_delta = 1.149586e-03 iteration 49 relative max_delta = 1.133432e-03 iteration 50 relative max_delta = 1.117746e-03 iteration 51 relative max_delta = 1.102498e-03 iteration 52 relative max_delta = 1.087666e-03 iteration 53 relative max_delta = 1.073226e-03 iteration 54 relative max_delta = 1.059161e-03 iteration 55 relative max_delta = 1.045452e-03 iteration 56 relative max_delta = 1.032083e-03 iteration 57 relative max_delta = 1.019040e-03 iteration 58 relative max_delta = 1.006307e-03 iteration 59 relative max_delta = 9.938707e-04 iteration 60 relative max_delta = 9.817182e-04 iteration 61 relative max_delta = 9.698360e-04 iteration 62 relative max_delta = 9.582113e-04 iteration 63 relative max_delta = 9.468317e-04 iteration 64 relative max_delta = 9.356855e-04 iteration 65 relative max_delta = 9.247622e-04 iteration 66 relative max_delta = 9.140522e-04 iteration 67 relative max_delta = 9.035473e-04 iteration 68 relative max_delta = 8.932401e-04 iteration 69 relative max_delta = 8.831247e-04 iteration 70 relative max_delta = 8.731956e-04 iteration 71 relative max_delta = 8.634483e-04 iteration 72 relative max_delta = 8.538785e-04 iteration 73 relative max_delta = 8.444822e-04 iteration 74 relative max_delta = 8.352554e-04 iteration 75 relative max_delta = 8.261940e-04 iteration 76 relative max_delta = 8.172937e-04 iteration 77 relative max_delta = 8.085502e-04 iteration 78 relative max_delta = 7.999588e-04 iteration 79 relative max_delta = 7.915148e-04 iteration 80 relative max_delta = 7.832135e-04 iteration 81 relative max_delta = 7.750502e-04 iteration 82 relative max_delta = 7.670202e-04 iteration 83 relative max_delta = 7.591192e-04 iteration 84 relative max_delta = 7.513428e-04 iteration 85 relative max_delta = 7.436869e-04 iteration 86 relative max_delta = 7.361475e-04 iteration 87 relative max_delta = 7.287209e-04 iteration 88 relative max_delta = 7.214034e-04 iteration 89 relative max_delta = 7.141916e-04 iteration 90 relative max_delta = 7.070821e-04 iteration 91 relative max_delta = 7.000718e-04 iteration 92 relative max_delta = 6.931578e-04 iteration 93 relative max_delta = 6.863373e-04 iteration 94 relative max_delta = 6.796078e-04 iteration 95 relative max_delta = 6.729668e-04 iteration 96 relative max_delta = 6.664122e-04 iteration 97 relative max_delta = 6.599421e-04 iteration 98 relative max_delta = 6.535547e-04 iteration 99 relative max_delta = 6.472483e-04 iteration 100 relative max_delta = 6.410214e-04 iteration 101 relative max_delta = 6.348726e-04 iteration 102 relative max_delta = 6.288006e-04 iteration 103 relative max_delta = 6.228039e-04 iteration 104 relative max_delta = 6.168814e-04 iteration 105 relative max_delta = 6.110318e-04 iteration 106 relative max_delta = 6.052538e-04 iteration 107 relative max_delta = 5.995462e-04 iteration 108 relative max_delta = 5.939078e-04 iteration 109 relative max_delta = 5.883373e-04 iteration 110 relative max_delta = 5.828335e-04 iteration 111 relative max_delta = 5.773953e-04 iteration 112 relative max_delta = 5.720215e-04 iteration 113 relative max_delta = 5.667109e-04 iteration 114 relative max_delta = 5.614624e-04 iteration 115 relative max_delta = 5.562750e-04 iteration 116 relative max_delta = 5.511474e-04 iteration 117 relative max_delta = 5.460786e-04 iteration 118 relative max_delta = 5.410677e-04 iteration 119 relative max_delta = 5.361134e-04 iteration 120 relative max_delta = 5.312149e-04 iteration 121 relative max_delta = 5.263711e-04 iteration 122 relative max_delta = 5.215811e-04 iteration 123 relative max_delta = 5.168440e-04 iteration 124 relative max_delta = 5.121589e-04 iteration 125 relative max_delta = 5.075248e-04 iteration 126 relative max_delta = 5.029411e-04 iteration 127 relative max_delta = 4.984068e-04 iteration 128 relative max_delta = 4.939212e-04 iteration 129 relative max_delta = 4.894835e-04 iteration 130 relative max_delta = 4.850931e-04 iteration 131 relative max_delta = 4.807492e-04 iteration 132 relative max_delta = 4.764511e-04 iteration 133 relative max_delta = 4.721982e-04 iteration 134 relative max_delta = 4.679897e-04 iteration 135 relative max_delta = 4.638251e-04 iteration 136 relative max_delta = 4.597037e-04 iteration 137 relative max_delta = 4.556249e-04 iteration 138 relative max_delta = 4.515881e-04 iteration 139 relative max_delta = 4.475926e-04 iteration 140 relative max_delta = 4.436380e-04 iteration 141 relative max_delta = 4.397237e-04 iteration 142 relative max_delta = 4.358490e-04 iteration 143 relative max_delta = 4.320134e-04 iteration 144 relative max_delta = 4.282165e-04 iteration 145 relative max_delta = 4.244576e-04 iteration 146 relative max_delta = 4.207363e-04 iteration 147 relative max_delta = 4.170520e-04 iteration 148 relative max_delta = 4.134043e-04 iteration 149 relative max_delta = 4.097927e-04 iteration 150 relative max_delta = 4.062166e-04 iteration 151 relative max_delta = 4.026757e-04 iteration 152 relative max_delta = 3.991695e-04 iteration 153 relative max_delta = 3.956975e-04 iteration 154 relative max_delta = 3.922592e-04 iteration 155 relative max_delta = 3.888544e-04 iteration 156 relative max_delta = 3.854825e-04 iteration 157 relative max_delta = 3.821431e-04 iteration 158 relative max_delta = 3.788359e-04 iteration 159 relative max_delta = 3.755604e-04 iteration 160 relative max_delta = 3.723163e-04 iteration 161 relative max_delta = 3.691032e-04 iteration 162 relative max_delta = 3.659207e-04 iteration 163 relative max_delta = 3.627685e-04 iteration 164 relative max_delta = 3.596462e-04 iteration 165 relative max_delta = 3.565535e-04 iteration 166 relative max_delta = 3.534899e-04 iteration 167 relative max_delta = 3.504553e-04 iteration 168 relative max_delta = 3.474492e-04 iteration 169 relative max_delta = 3.444713e-04 iteration 170 relative max_delta = 3.415213e-04 iteration 171 relative max_delta = 3.385989e-04 iteration 172 relative max_delta = 3.357038e-04 iteration 173 relative max_delta = 3.328356e-04 iteration 174 relative max_delta = 3.299940e-04 iteration 175 relative max_delta = 3.271788e-04 iteration 176 relative max_delta = 3.243896e-04 iteration 177 relative max_delta = 3.216261e-04 iteration 178 relative max_delta = 3.188881e-04 iteration 179 relative max_delta = 3.161752e-04 iteration 180 relative max_delta = 3.134872e-04 iteration 181 relative max_delta = 3.108238e-04 iteration 182 relative max_delta = 3.081847e-04 iteration 183 relative max_delta = 3.055697e-04 iteration 184 relative max_delta = 3.029785e-04 iteration 185 relative max_delta = 3.004107e-04 iteration 186 relative max_delta = 2.978663e-04 iteration 187 relative max_delta = 2.953448e-04 iteration 188 relative max_delta = 2.928461e-04 iteration 189 relative max_delta = 2.903698e-04 iteration 190 relative max_delta = 2.879159e-04 iteration 191 relative max_delta = 2.854839e-04 iteration 192 relative max_delta = 2.830738e-04 iteration 193 relative max_delta = 2.806852e-04 iteration 194 relative max_delta = 2.783180e-04 iteration 195 relative max_delta = 2.759718e-04 iteration 196 relative max_delta = 2.736466e-04 iteration 197 relative max_delta = 2.713420e-04 iteration 198 relative max_delta = 2.690579e-04 iteration 199 relative max_delta = 2.667941e-04 iteration 200 relative max_delta = 2.645503e-04 iteration 201 relative max_delta = 2.623263e-04 iteration 202 relative max_delta = 2.601220e-04 iteration 203 relative max_delta = 2.579372e-04 iteration 204 relative max_delta = 2.557716e-04 iteration 205 relative max_delta = 2.536251e-04 iteration 206 relative max_delta = 2.514974e-04 iteration 207 relative max_delta = 2.493885e-04 iteration 208 relative max_delta = 2.472980e-04 iteration 209 relative max_delta = 2.452259e-04 iteration 210 relative max_delta = 2.431719e-04 iteration 211 relative max_delta = 2.411359e-04 iteration 212 relative max_delta = 2.391176e-04 iteration 213 relative max_delta = 2.371170e-04 iteration 214 relative max_delta = 2.351338e-04 iteration 215 relative max_delta = 2.331679e-04 iteration 216 relative max_delta = 2.312191e-04 iteration 217 relative max_delta = 2.292872e-04 iteration 218 relative max_delta = 2.273721e-04 iteration 219 relative max_delta = 2.254736e-04 iteration 220 relative max_delta = 2.235915e-04 iteration 221 relative max_delta = 2.217258e-04 iteration 222 relative max_delta = 2.198761e-04 iteration 223 relative max_delta = 2.180425e-04 iteration 224 relative max_delta = 2.162246e-04 iteration 225 relative max_delta = 2.144225e-04 iteration 226 relative max_delta = 2.126358e-04 iteration 227 relative max_delta = 2.108645e-04 iteration 228 relative max_delta = 2.091085e-04 iteration 229 relative max_delta = 2.073675e-04 iteration 230 relative max_delta = 2.056415e-04 iteration 231 relative max_delta = 2.039303e-04 iteration 232 relative max_delta = 2.022337e-04 iteration 233 relative max_delta = 2.005516e-04 iteration 234 relative max_delta = 1.988840e-04 iteration 235 relative max_delta = 1.972305e-04 iteration 236 relative max_delta = 1.955912e-04 iteration 237 relative max_delta = 1.939659e-04 iteration 238 relative max_delta = 1.923545e-04 iteration 239 relative max_delta = 1.907567e-04 iteration 240 relative max_delta = 1.891726e-04 iteration 241 relative max_delta = 1.876019e-04 iteration 242 relative max_delta = 1.860446e-04 iteration 243 relative max_delta = 1.845005e-04 iteration 244 relative max_delta = 1.829695e-04 iteration 245 relative max_delta = 1.814515e-04 iteration 246 relative max_delta = 1.799464e-04 iteration 247 relative max_delta = 1.784540e-04 iteration 248 relative max_delta = 1.769743e-04 iteration 249 relative max_delta = 1.755071e-04 iteration 250 relative max_delta = 1.740523e-04 iteration 251 relative max_delta = 1.726098e-04 iteration 252 relative max_delta = 1.711795e-04 iteration 253 relative max_delta = 1.697612e-04 iteration 254 relative max_delta = 1.683549e-04 iteration 255 relative max_delta = 1.669605e-04 iteration 256 relative max_delta = 1.655778e-04 iteration 257 relative max_delta = 1.642068e-04 iteration 258 relative max_delta = 1.628473e-04 iteration 259 relative max_delta = 1.614993e-04 iteration 260 relative max_delta = 1.601626e-04 iteration 261 relative max_delta = 1.588372e-04 iteration 262 relative max_delta = 1.575228e-04 iteration 263 relative max_delta = 1.562196e-04 iteration 264 relative max_delta = 1.549272e-04 iteration 265 relative max_delta = 1.536457e-04 iteration 266 relative max_delta = 1.523750e-04 iteration 267 relative max_delta = 1.511149e-04 iteration 268 relative max_delta = 1.498654e-04 iteration 269 relative max_delta = 1.486263e-04 iteration 270 relative max_delta = 1.473976e-04 iteration 271 relative max_delta = 1.461792e-04 iteration 272 relative max_delta = 1.449710e-04 iteration 273 relative max_delta = 1.437729e-04 iteration 274 relative max_delta = 1.425848e-04 iteration 275 relative max_delta = 1.414066e-04 iteration 276 relative max_delta = 1.402383e-04 iteration 277 relative max_delta = 1.390797e-04 iteration 278 relative max_delta = 1.379308e-04 iteration 279 relative max_delta = 1.367915e-04 iteration 280 relative max_delta = 1.356617e-04 iteration 281 relative max_delta = 1.345413e-04 iteration 282 relative max_delta = 1.334303e-04 iteration 283 relative max_delta = 1.323285e-04 iteration 284 relative max_delta = 1.312359e-04 iteration 285 relative max_delta = 1.301524e-04 iteration 286 relative max_delta = 1.290779e-04 iteration 287 relative max_delta = 1.280124e-04 iteration 288 relative max_delta = 1.269557e-04 iteration 289 relative max_delta = 1.259078e-04 iteration 290 relative max_delta = 1.248686e-04 iteration 291 relative max_delta = 1.238381e-04 iteration 292 relative max_delta = 1.228161e-04 iteration 293 relative max_delta = 1.218026e-04 iteration 294 relative max_delta = 1.207976e-04 iteration 295 relative max_delta = 1.198009e-04 iteration 296 relative max_delta = 1.188124e-04 iteration 297 relative max_delta = 1.178322e-04 iteration 298 relative max_delta = 1.168601e-04 iteration 299 relative max_delta = 1.158961e-04 iteration 300 relative max_delta = 1.149400e-04 iteration 301 relative max_delta = 1.139919e-04 iteration 302 relative max_delta = 1.130517e-04 iteration 303 relative max_delta = 1.121192e-04 iteration 304 relative max_delta = 1.111945e-04 iteration 305 relative max_delta = 1.102774e-04 iteration 306 relative max_delta = 1.093680e-04 iteration 307 relative max_delta = 1.084660e-04 iteration 308 relative max_delta = 1.075716e-04 iteration 309 relative max_delta = 1.066845e-04 iteration 310 relative max_delta = 1.058048e-04 iteration 311 relative max_delta = 1.049324e-04 iteration 312 relative max_delta = 1.040672e-04 iteration 313 relative max_delta = 1.032091e-04 iteration 314 relative max_delta = 1.023582e-04 iteration 315 relative max_delta = 1.015143e-04 iteration 316 relative max_delta = 1.006774e-04 iteration 317 relative max_delta = 9.984734e-05 iteration 318 relative max_delta = 9.902420e-05 iteration 319 relative max_delta = 9.820785e-05 iteration 320 relative max_delta = 9.739826e-05 iteration 321 relative max_delta = 9.659535e-05 iteration 322 relative max_delta = 9.579908e-05 iteration 323 relative max_delta = 9.500939e-05 iteration 324 relative max_delta = 9.422623e-05 iteration 325 relative max_delta = 9.344953e-05 iteration 326 relative max_delta = 9.267924e-05 iteration 327 relative max_delta = 9.191532e-05 iteration 328 relative max_delta = 9.115771e-05 iteration 329 relative max_delta = 9.040635e-05 iteration 330 relative max_delta = 8.966119e-05 iteration 331 relative max_delta = 8.892218e-05 iteration 332 relative max_delta = 8.818927e-05 iteration 333 relative max_delta = 8.746241e-05 iteration 334 relative max_delta = 8.674155e-05 iteration 335 relative max_delta = 8.602663e-05 iteration 336 relative max_delta = 8.531762e-05 iteration 337 relative max_delta = 8.461445e-05 iteration 338 relative max_delta = 8.391708e-05 iteration 339 relative max_delta = 8.322546e-05 iteration 340 relative max_delta = 8.253955e-05 iteration 341 relative max_delta = 8.185929e-05 iteration 342 relative max_delta = 8.118465e-05 iteration 343 relative max_delta = 8.051556e-05 iteration 344 relative max_delta = 7.985199e-05 iteration 345 relative max_delta = 7.919389e-05 iteration 346 relative max_delta = 7.854122e-05 iteration 347 relative max_delta = 7.789392e-05 iteration 348 relative max_delta = 7.725196e-05 iteration 349 relative max_delta = 7.661529e-05 iteration 350 relative max_delta = 7.598387e-05 iteration 351 relative max_delta = 7.535765e-05 iteration 352 relative max_delta = 7.473659e-05 iteration 353 relative max_delta = 7.412065e-05 iteration 354 relative max_delta = 7.350978e-05 iteration 355 relative max_delta = 7.290395e-05 iteration 356 relative max_delta = 7.230311e-05 iteration 357 relative max_delta = 7.170721e-05 iteration 358 relative max_delta = 7.111623e-05 iteration 359 relative max_delta = 7.053011e-05 iteration 360 relative max_delta = 6.994882e-05 iteration 361 relative max_delta = 6.937232e-05 iteration 362 relative max_delta = 6.880057e-05 iteration 363 relative max_delta = 6.823352e-05 iteration 364 relative max_delta = 6.767115e-05 iteration 365 relative max_delta = 6.711341e-05 iteration 366 relative max_delta = 6.656026e-05 iteration 367 relative max_delta = 6.601166e-05 iteration 368 relative max_delta = 6.546759e-05 iteration 369 relative max_delta = 6.492799e-05 iteration 370 relative max_delta = 6.439284e-05 iteration 371 relative max_delta = 6.386209e-05 iteration 372 relative max_delta = 6.333571e-05 iteration 373 relative max_delta = 6.281367e-05 iteration 374 relative max_delta = 6.229593e-05 iteration 375 relative max_delta = 6.178244e-05 iteration 376 relative max_delta = 6.127319e-05 iteration 377 relative max_delta = 6.076813e-05 iteration 378 relative max_delta = 6.026722e-05 iteration 379 relative max_delta = 5.977044e-05 iteration 380 relative max_delta = 5.927775e-05 iteration 381 relative max_delta = 5.878912e-05 iteration 382 relative max_delta = 5.830451e-05 iteration 383 relative max_delta = 5.782388e-05 iteration 384 relative max_delta = 5.734722e-05 iteration 385 relative max_delta = 5.687448e-05 iteration 386 relative max_delta = 5.640563e-05 iteration 387 relative max_delta = 5.594063e-05 iteration 388 relative max_delta = 5.547947e-05 iteration 389 relative max_delta = 5.502210e-05 iteration 390 relative max_delta = 5.456850e-05 iteration 391 relative max_delta = 5.411863e-05 iteration 392 relative max_delta = 5.367247e-05 iteration 393 relative max_delta = 5.322997e-05 iteration 394 relative max_delta = 5.279112e-05 iteration 395 relative max_delta = 5.235589e-05 iteration 396 relative max_delta = 5.192423e-05 iteration 397 relative max_delta = 5.149613e-05 iteration 398 relative max_delta = 5.107155e-05 iteration 399 relative max_delta = 5.065046e-05 iteration 400 relative max_delta = 5.023285e-05 iteration 401 relative max_delta = 4.981867e-05 iteration 402 relative max_delta = 4.940789e-05 iteration 403 relative max_delta = 4.900050e-05 iteration 404 relative max_delta = 4.859647e-05 iteration 405 relative max_delta = 4.819576e-05 iteration 406 relative max_delta = 4.779834e-05 iteration 407 relative max_delta = 4.740420e-05 iteration 408 relative max_delta = 4.701330e-05 iteration 409 relative max_delta = 4.662563e-05 iteration 410 relative max_delta = 4.624114e-05 iteration 411 relative max_delta = 4.585981e-05 iteration 412 relative max_delta = 4.548163e-05 iteration 413 relative max_delta = 4.510656e-05 iteration 414 relative max_delta = 4.473457e-05 iteration 415 relative max_delta = 4.436565e-05 iteration 416 relative max_delta = 4.399977e-05 iteration 417 relative max_delta = 4.363689e-05 iteration 418 relative max_delta = 4.327701e-05 iteration 419 relative max_delta = 4.292008e-05 iteration 420 relative max_delta = 4.256610e-05 iteration 421 relative max_delta = 4.221503e-05 iteration 422 relative max_delta = 4.186685e-05 iteration 423 relative max_delta = 4.152153e-05 iteration 424 relative max_delta = 4.117906e-05 iteration 425 relative max_delta = 4.083941e-05 iteration 426 relative max_delta = 4.050255e-05 iteration 427 relative max_delta = 4.016847e-05 iteration 428 relative max_delta = 3.983714e-05 iteration 429 relative max_delta = 3.950853e-05 iteration 430 relative max_delta = 3.918263e-05 iteration 431 relative max_delta = 3.885942e-05 iteration 432 relative max_delta = 3.853886e-05 iteration 433 relative max_delta = 3.822095e-05 iteration 434 relative max_delta = 3.790565e-05 iteration 435 relative max_delta = 3.759295e-05 iteration 436 relative max_delta = 3.728282e-05 iteration 437 relative max_delta = 3.697525e-05 iteration 438 relative max_delta = 3.667021e-05 iteration 439 relative max_delta = 3.636768e-05 iteration 440 relative max_delta = 3.606764e-05 iteration 441 relative max_delta = 3.577007e-05 iteration 442 relative max_delta = 3.547496e-05 iteration 443 relative max_delta = 3.518227e-05 iteration 444 relative max_delta = 3.489199e-05 iteration 445 relative max_delta = 3.460411e-05 iteration 446 relative max_delta = 3.431859e-05 iteration 447 relative max_delta = 3.403543e-05 iteration 448 relative max_delta = 3.375460e-05 iteration 449 relative max_delta = 3.347608e-05 iteration 450 relative max_delta = 3.319985e-05 iteration 451 relative max_delta = 3.292590e-05 iteration 452 relative max_delta = 3.265421e-05 iteration 453 relative max_delta = 3.238475e-05 iteration 454 relative max_delta = 3.211752e-05 iteration 455 relative max_delta = 3.185248e-05 iteration 456 relative max_delta = 3.158963e-05 iteration 457 relative max_delta = 3.132894e-05 iteration 458 relative max_delta = 3.107040e-05 iteration 459 relative max_delta = 3.081399e-05 iteration 460 relative max_delta = 3.055969e-05 iteration 461 relative max_delta = 3.030749e-05 iteration 462 relative max_delta = 3.005737e-05 iteration 463 relative max_delta = 2.980930e-05 iteration 464 relative max_delta = 2.956328e-05 iteration 465 relative max_delta = 2.931928e-05 iteration 466 relative max_delta = 2.907730e-05 iteration 467 relative max_delta = 2.883731e-05 iteration 468 relative max_delta = 2.859929e-05 iteration 469 relative max_delta = 2.836324e-05 iteration 470 relative max_delta = 2.812913e-05 iteration 471 relative max_delta = 2.789696e-05 iteration 472 relative max_delta = 2.766669e-05 iteration 473 relative max_delta = 2.743832e-05 iteration 474 relative max_delta = 2.721183e-05 iteration 475 relative max_delta = 2.698721e-05 iteration 476 relative max_delta = 2.676444e-05 iteration 477 relative max_delta = 2.654351e-05 iteration 478 relative max_delta = 2.632440e-05 iteration 479 relative max_delta = 2.610709e-05 iteration 480 relative max_delta = 2.589157e-05 iteration 481 relative max_delta = 2.567783e-05 iteration 482 relative max_delta = 2.546585e-05 iteration 483 relative max_delta = 2.525562e-05 iteration 484 relative max_delta = 2.504712e-05 iteration 485 relative max_delta = 2.484034e-05 iteration 486 relative max_delta = 2.463526e-05 iteration 487 relative max_delta = 2.443188e-05 iteration 488 relative max_delta = 2.423016e-05 iteration 489 relative max_delta = 2.403012e-05 iteration 490 relative max_delta = 2.383172e-05 iteration 491 relative max_delta = 2.363495e-05 iteration 492 relative max_delta = 2.343981e-05 iteration 493 relative max_delta = 2.324628e-05 iteration 494 relative max_delta = 2.305434e-05 iteration 495 relative max_delta = 2.286399e-05 iteration 496 relative max_delta = 2.267520e-05 iteration 497 relative max_delta = 2.248797e-05 iteration 498 relative max_delta = 2.230228e-05 iteration 499 relative max_delta = 2.211813e-05 iteration 500 relative max_delta = 2.193549e-05 iteration 501 relative max_delta = 2.175436e-05 iteration 502 relative max_delta = 2.157472e-05 iteration 503 relative max_delta = 2.139657e-05 iteration 504 relative max_delta = 2.121988e-05 iteration 505 relative max_delta = 2.104465e-05 iteration 506 relative max_delta = 2.087086e-05 iteration 507 relative max_delta = 2.069851e-05 iteration 508 relative max_delta = 2.052757e-05 iteration 509 relative max_delta = 2.035805e-05 iteration 510 relative max_delta = 2.018993e-05 iteration 511 relative max_delta = 2.002319e-05 iteration 512 relative max_delta = 1.985782e-05 iteration 513 relative max_delta = 1.969382e-05 iteration 514 relative max_delta = 1.953118e-05 iteration 515 relative max_delta = 1.936987e-05 iteration 516 relative max_delta = 1.920989e-05 iteration 517 relative max_delta = 1.905124e-05 iteration 518 relative max_delta = 1.889389e-05 iteration 519 relative max_delta = 1.873784e-05 iteration 520 relative max_delta = 1.858308e-05 iteration 521 relative max_delta = 1.842959e-05 iteration 522 relative max_delta = 1.827737e-05 iteration 523 relative max_delta = 1.812640e-05 iteration 524 relative max_delta = 1.797668e-05 iteration 525 relative max_delta = 1.782820e-05 iteration 526 relative max_delta = 1.768094e-05 iteration 527 relative max_delta = 1.753489e-05 iteration 528 relative max_delta = 1.739005e-05 iteration 529 relative max_delta = 1.724640e-05 iteration 530 relative max_delta = 1.710394e-05 iteration 531 relative max_delta = 1.696266e-05 iteration 532 relative max_delta = 1.682254e-05 iteration 533 relative max_delta = 1.668357e-05 iteration 534 relative max_delta = 1.654575e-05 iteration 535 relative max_delta = 1.640907e-05 iteration 536 relative max_delta = 1.627352e-05 iteration 537 relative max_delta = 1.613909e-05 iteration 538 relative max_delta = 1.600576e-05 iteration 539 relative max_delta = 1.587353e-05 iteration 540 relative max_delta = 1.574240e-05 iteration 541 relative max_delta = 1.561235e-05 iteration 542 relative max_delta = 1.548337e-05 iteration 543 relative max_delta = 1.535545e-05 iteration 544 relative max_delta = 1.522859e-05 iteration 545 relative max_delta = 1.510278e-05 iteration 546 relative max_delta = 1.497800e-05 iteration 547 relative max_delta = 1.485426e-05 iteration 548 relative max_delta = 1.473153e-05 iteration 549 relative max_delta = 1.460982e-05 iteration 550 relative max_delta = 1.448911e-05 iteration 551 relative max_delta = 1.436940e-05 iteration 552 relative max_delta = 1.425068e-05 iteration 553 relative max_delta = 1.413294e-05 iteration 554 relative max_delta = 1.401616e-05 iteration 555 relative max_delta = 1.390036e-05 iteration 556 relative max_delta = 1.378550e-05 iteration 557 relative max_delta = 1.367160e-05 iteration 558 relative max_delta = 1.355863e-05 iteration 559 relative max_delta = 1.344660e-05 iteration 560 relative max_delta = 1.333550e-05 iteration 561 relative max_delta = 1.322531e-05 iteration 562 relative max_delta = 1.311602e-05 iteration 563 relative max_delta = 1.300765e-05 iteration 564 relative max_delta = 1.290016e-05 iteration 565 relative max_delta = 1.279356e-05 iteration 566 relative max_delta = 1.268785e-05 iteration 567 relative max_delta = 1.258300e-05 iteration 568 relative max_delta = 1.247902e-05 iteration 569 relative max_delta = 1.237590e-05 iteration 570 relative max_delta = 1.227363e-05 iteration 571 relative max_delta = 1.217221e-05 iteration 572 relative max_delta = 1.207162e-05 iteration 573 relative max_delta = 1.197186e-05 iteration 574 relative max_delta = 1.187293e-05 iteration 575 relative max_delta = 1.177481e-05 iteration 576 relative max_delta = 1.167751e-05 iteration 577 relative max_delta = 1.158100e-05 iteration 578 relative max_delta = 1.148530e-05 iteration 579 relative max_delta = 1.139038e-05 iteration 580 relative max_delta = 1.129625e-05 iteration 581 relative max_delta = 1.120289e-05 iteration 582 relative max_delta = 1.111030e-05 iteration 583 relative max_delta = 1.101848e-05 iteration 584 relative max_delta = 1.092742e-05 iteration 585 relative max_delta = 1.083711e-05 iteration 586 relative max_delta = 1.074755e-05 iteration 587 relative max_delta = 1.065872e-05 iteration 588 relative max_delta = 1.057063e-05 iteration 589 relative max_delta = 1.048326e-05 iteration 590 relative max_delta = 1.039662e-05 iteration 591 relative max_delta = 1.031069e-05 iteration 592 relative max_delta = 1.022547e-05 iteration 593 relative max_delta = 1.014096e-05 iteration 594 relative max_delta = 1.005714e-05 iteration 595 relative max_delta = 9.974018e-06 iteration 596 relative max_delta = 9.891580e-06 iteration 597 relative max_delta = 9.809823e-06 iteration 598 relative max_delta = 9.728741e-06 iteration 599 relative max_delta = 9.648328e-06 iteration 600 relative max_delta = 9.568580e-06 iteration 601 relative max_delta = 9.489490e-06 iteration 602 relative max_delta = 9.411054e-06 iteration 603 relative max_delta = 9.333265e-06 iteration 604 relative max_delta = 9.256119e-06 iteration 605 relative max_delta = 9.179609e-06 iteration 606 relative max_delta = 9.103732e-06 iteration 607 relative max_delta = 9.028482e-06 iteration 608 relative max_delta = 8.953852e-06 iteration 609 relative max_delta = 8.879840e-06 iteration 610 relative max_delta = 8.806438e-06 iteration 611 relative max_delta = 8.733643e-06 iteration 612 relative max_delta = 8.661449e-06 iteration 613 relative max_delta = 8.589852e-06 iteration 614 relative max_delta = 8.518846e-06 iteration 615 relative max_delta = 8.448426e-06 iteration 616 relative max_delta = 8.378588e-06 iteration 617 relative max_delta = 8.309327e-06 iteration 618 relative max_delta = 8.240638e-06 iteration 619 relative max_delta = 8.172517e-06 iteration 620 relative max_delta = 8.104958e-06 iteration 621 relative max_delta = 8.037957e-06 iteration 622 relative max_delta = 7.971510e-06 iteration 623 relative max_delta = 7.905611e-06 iteration 624 relative max_delta = 7.840257e-06 iteration 625 relative max_delta = 7.775443e-06 iteration 626 relative max_delta = 7.711165e-06 iteration 627 relative max_delta = 7.647417e-06 iteration 628 relative max_delta = 7.584196e-06 iteration 629 relative max_delta = 7.521497e-06 iteration 630 relative max_delta = 7.459316e-06 iteration 631 relative max_delta = 7.397649e-06 iteration 632 relative max_delta = 7.336492e-06 iteration 633 relative max_delta = 7.275839e-06 iteration 634 relative max_delta = 7.215688e-06 iteration 635 relative max_delta = 7.156034e-06 iteration 636 relative max_delta = 7.096873e-06 iteration 637 relative max_delta = 7.038200e-06 iteration 638 relative max_delta = 6.980012e-06 iteration 639 relative max_delta = 6.922305e-06 iteration 640 relative max_delta = 6.865075e-06 iteration 641 relative max_delta = 6.808317e-06 iteration 642 relative max_delta = 6.752029e-06 iteration 643 relative max_delta = 6.696205e-06 iteration 644 relative max_delta = 6.640843e-06 iteration 645 relative max_delta = 6.585939e-06 iteration 646 relative max_delta = 6.531488e-06 iteration 647 relative max_delta = 6.477486e-06 iteration 648 relative max_delta = 6.423932e-06 iteration 649 relative max_delta = 6.370819e-06 iteration 650 relative max_delta = 6.318146e-06 iteration 651 relative max_delta = 6.265907e-06 iteration 652 relative max_delta = 6.214101e-06 iteration 653 relative max_delta = 6.162722e-06 iteration 654 relative max_delta = 6.111768e-06 iteration 655 relative max_delta = 6.061235e-06 iteration 656 relative max_delta = 6.011120e-06 iteration 657 relative max_delta = 5.961419e-06 iteration 658 relative max_delta = 5.912128e-06 iteration 659 relative max_delta = 5.863245e-06 iteration 660 relative max_delta = 5.814766e-06 iteration 661 relative max_delta = 5.766688e-06 iteration 662 relative max_delta = 5.719006e-06 iteration 663 relative max_delta = 5.671719e-06 iteration 664 relative max_delta = 5.624823e-06 iteration 665 relative max_delta = 5.578314e-06 iteration 666 relative max_delta = 5.532189e-06 iteration 667 relative max_delta = 5.486446e-06 iteration 668 relative max_delta = 5.441081e-06 iteration 669 relative max_delta = 5.396090e-06 iteration 670 relative max_delta = 5.351472e-06 iteration 671 relative max_delta = 5.307222e-06 iteration 672 relative max_delta = 5.263338e-06 iteration 673 relative max_delta = 5.219817e-06 iteration 674 relative max_delta = 5.176655e-06 iteration 675 relative max_delta = 5.133850e-06 iteration 676 relative max_delta = 5.091399e-06 iteration 677 relative max_delta = 5.049299e-06 iteration 678 relative max_delta = 5.007546e-06 iteration 679 relative max_delta = 4.966139e-06 iteration 680 relative max_delta = 4.925074e-06 iteration 681 relative max_delta = 4.884348e-06 iteration 682 relative max_delta = 4.843959e-06 iteration 683 relative max_delta = 4.803904e-06 iteration 684 relative max_delta = 4.764180e-06 iteration 685 relative max_delta = 4.724784e-06 iteration 686 relative max_delta = 4.685714e-06 iteration 687 relative max_delta = 4.646967e-06 iteration 688 relative max_delta = 4.608540e-06 iteration 689 relative max_delta = 4.570430e-06 iteration 690 relative max_delta = 4.532636e-06 iteration 691 relative max_delta = 4.495154e-06 iteration 692 relative max_delta = 4.457982e-06 iteration 693 relative max_delta = 4.421117e-06 iteration 694 relative max_delta = 4.384557e-06 iteration 695 relative max_delta = 4.348299e-06 iteration 696 relative max_delta = 4.312341e-06 iteration 697 relative max_delta = 4.276680e-06 iteration 698 relative max_delta = 4.241314e-06 iteration 699 relative max_delta = 4.206240e-06 iteration 700 relative max_delta = 4.171456e-06 iteration 701 relative max_delta = 4.136960e-06 iteration 702 relative max_delta = 4.102749e-06 iteration 703 relative max_delta = 4.068820e-06 iteration 704 relative max_delta = 4.035172e-06 iteration 705 relative max_delta = 4.001803e-06 iteration 706 relative max_delta = 3.968709e-06 iteration 707 relative max_delta = 3.935888e-06 iteration 708 relative max_delta = 3.903339e-06 iteration 709 relative max_delta = 3.871059e-06 iteration 710 relative max_delta = 3.839046e-06 iteration 711 relative max_delta = 3.807298e-06 iteration 712 relative max_delta = 3.775812e-06 iteration 713 relative max_delta = 3.744586e-06 iteration 714 relative max_delta = 3.713618e-06 iteration 715 relative max_delta = 3.682907e-06 iteration 716 relative max_delta = 3.652449e-06 iteration 717 relative max_delta = 3.622243e-06 iteration 718 relative max_delta = 3.592287e-06 iteration 719 relative max_delta = 3.562579e-06 iteration 720 relative max_delta = 3.533116e-06 iteration 721 relative max_delta = 3.503897e-06 iteration 722 relative max_delta = 3.474919e-06 iteration 723 relative max_delta = 3.446181e-06 iteration 724 relative max_delta = 3.417680e-06 iteration 725 relative max_delta = 3.389415e-06 iteration 726 relative max_delta = 3.361384e-06 iteration 727 relative max_delta = 3.333584e-06 iteration 728 relative max_delta = 3.306015e-06 iteration 729 relative max_delta = 3.278673e-06 iteration 730 relative max_delta = 3.251557e-06 iteration 731 relative max_delta = 3.224666e-06 iteration 732 relative max_delta = 3.197997e-06 iteration 733 relative max_delta = 3.171548e-06 iteration 734 relative max_delta = 3.145318e-06 iteration 735 relative max_delta = 3.119305e-06 iteration 736 relative max_delta = 3.093507e-06 iteration 737 relative max_delta = 3.067922e-06 iteration 738 relative max_delta = 3.042549e-06 iteration 739 relative max_delta = 3.017385e-06 iteration 740 relative max_delta = 2.992430e-06 iteration 741 relative max_delta = 2.967681e-06 iteration 742 relative max_delta = 2.943137e-06 iteration 743 relative max_delta = 2.918795e-06 iteration 744 relative max_delta = 2.894655e-06 iteration 745 relative max_delta = 2.870714e-06 iteration 746 relative max_delta = 2.846972e-06 iteration 747 relative max_delta = 2.823425e-06 iteration 748 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iteration 769 relative max_delta = 2.351927e-06 iteration 770 relative max_delta = 2.332474e-06 iteration 771 relative max_delta = 2.313182e-06 iteration 772 relative max_delta = 2.294050e-06 iteration 773 relative max_delta = 2.275075e-06 iteration 774 relative max_delta = 2.256258e-06 iteration 775 relative max_delta = 2.237596e-06 iteration 776 relative max_delta = 2.219089e-06 iteration 777 relative max_delta = 2.200734e-06 iteration 778 relative max_delta = 2.182532e-06 iteration 779 relative max_delta = 2.164479e-06 iteration 780 relative max_delta = 2.146577e-06 iteration 781 relative max_delta = 2.128822e-06 iteration 782 relative max_delta = 2.111214e-06 iteration 783 relative max_delta = 2.093751e-06 iteration 784 relative max_delta = 2.076434e-06 iteration 785 relative max_delta = 2.059259e-06 iteration 786 relative max_delta = 2.042226e-06 iteration 787 relative max_delta = 2.025334e-06 iteration 788 relative max_delta = 2.008582e-06 iteration 789 relative max_delta = 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max_delta = 1.673137e-06 iteration 811 relative max_delta = 1.659297e-06 iteration 812 relative max_delta = 1.645572e-06 iteration 813 relative max_delta = 1.631960e-06 iteration 814 relative max_delta = 1.618461e-06 iteration 815 relative max_delta = 1.605074e-06 iteration 816 relative max_delta = 1.591798e-06 iteration 817 relative max_delta = 1.578631e-06 iteration 818 relative max_delta = 1.565573e-06 iteration 819 relative max_delta = 1.552623e-06 iteration 820 relative max_delta = 1.539780e-06 iteration 821 relative max_delta = 1.527043e-06 iteration 822 relative max_delta = 1.514412e-06 iteration 823 relative max_delta = 1.501885e-06 iteration 824 relative max_delta = 1.489462e-06 iteration 825 relative max_delta = 1.477142e-06 iteration 826 relative max_delta = 1.464923e-06 iteration 827 relative max_delta = 1.452806e-06 iteration 828 relative max_delta = 1.440788e-06 iteration 829 relative max_delta = 1.428870e-06 iteration 830 relative max_delta = 1.417051e-06 iteration 831 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iteration 852 relative max_delta = 1.180384e-06 iteration 853 relative max_delta = 1.170619e-06 iteration 854 relative max_delta = 1.160936e-06 iteration 855 relative max_delta = 1.151333e-06 iteration 856 relative max_delta = 1.141809e-06 iteration 857 relative max_delta = 1.132364e-06 iteration 858 relative max_delta = 1.122997e-06 iteration 859 relative max_delta = 1.113707e-06 iteration 860 relative max_delta = 1.104495e-06 iteration 861 relative max_delta = 1.095358e-06 iteration 862 relative max_delta = 1.086297e-06 iteration 863 relative max_delta = 1.077311e-06 iteration 864 relative max_delta = 1.068400e-06 iteration 865 relative max_delta = 1.059562e-06 iteration 866 relative max_delta = 1.050797e-06 iteration 867 relative max_delta = 1.042105e-06 iteration 868 relative max_delta = 1.033484e-06 iteration 869 relative max_delta = 1.024935e-06 iteration 870 relative max_delta = 1.016457e-06 iteration 871 relative max_delta = 1.008049e-06 iteration 872 relative max_delta = 9.997100e-07 iteration 873 relative max_delta = 9.914402e-07 iteration 874 relative max_delta = 9.832389e-07 iteration 875 relative max_delta = 9.751054e-07 iteration 876 relative max_delta = 9.670392e-07 iteration 877 relative max_delta = 9.590397e-07 iteration 878 relative max_delta = 9.511063e-07 iteration 879 relative max_delta = 9.432386e-07 iteration 880 relative max_delta = 9.354359e-07 iteration 881 relative max_delta = 9.276978e-07 iteration 882 relative max_delta = 9.200237e-07 iteration 883 relative max_delta = 9.124131e-07 iteration 884 relative max_delta = 9.048654e-07 iteration 885 relative max_delta = 8.973802e-07 iteration 886 relative max_delta = 8.899568e-07 iteration 887 relative max_delta = 8.825949e-07 iteration 888 relative max_delta = 8.752939e-07 iteration 889 relative max_delta = 8.680532e-07 iteration 890 relative max_delta = 8.608725e-07 iteration 891 relative max_delta = 8.537511e-07 iteration 892 relative max_delta = 8.466887e-07 iteration 893 relative max_delta = 8.396846e-07 iteration 894 relative max_delta = 8.327385e-07 iteration 895 relative max_delta = 8.258499e-07 iteration 896 relative max_delta = 8.190182e-07 iteration 897 relative max_delta = 8.122431e-07 iteration 898 relative max_delta = 8.055240e-07 iteration 899 relative max_delta = 7.988604e-07 iteration 900 relative max_delta = 7.922520e-07 iteration 901 relative max_delta = 7.856982e-07 iteration 902 relative max_delta = 7.791987e-07 iteration 903 relative max_delta = 7.727529e-07 iteration 904 relative max_delta = 7.663605e-07 iteration 905 relative max_delta = 7.600209e-07 iteration 906 relative max_delta = 7.537337e-07 iteration 907 relative max_delta = 7.474986e-07 iteration 908 relative max_delta = 7.413150e-07 iteration 909 relative max_delta = 7.351826e-07 iteration 910 relative max_delta = 7.291009e-07 iteration 911 relative max_delta = 7.230695e-07 iteration 912 relative max_delta = 7.170880e-07 iteration 913 relative max_delta = 7.111560e-07 iteration 914 relative max_delta = 7.052730e-07 iteration 915 relative max_delta = 6.994387e-07 iteration 916 relative max_delta = 6.936527e-07 iteration 917 relative max_delta = 6.879145e-07 iteration 918 relative max_delta = 6.822238e-07 iteration 919 relative max_delta = 6.765802e-07 iteration 920 relative max_delta = 6.709833e-07 iteration 921 relative max_delta = 6.654326e-07 iteration 922 relative max_delta = 6.599279e-07 iteration 923 relative max_delta = 6.544687e-07 iteration 924 relative max_delta = 6.490546e-07 iteration 925 relative max_delta = 6.436854e-07 iteration 926 relative max_delta = 6.383605e-07 iteration 927 relative max_delta = 6.330797e-07 iteration 928 relative max_delta = 6.278426e-07 iteration 929 relative max_delta = 6.226488e-07 iteration 930 relative max_delta = 6.174980e-07 iteration 931 relative max_delta = 6.123898e-07 iteration 932 relative max_delta = 6.073238e-07 iteration 933 relative max_delta = 6.022998e-07 iteration 934 relative max_delta = 5.973172e-07 iteration 935 relative max_delta = 5.923760e-07 iteration 936 relative max_delta = 5.874755e-07 iteration 937 relative max_delta = 5.826157e-07 iteration 938 relative max_delta = 5.777960e-07 iteration 939 relative max_delta = 5.730162e-07 iteration 940 relative max_delta = 5.682759e-07 iteration 941 relative max_delta = 5.635748e-07 iteration 942 relative max_delta = 5.589127e-07 iteration 943 relative max_delta = 5.542891e-07 iteration 944 relative max_delta = 5.497037e-07 iteration 945 relative max_delta = 5.451563e-07 iteration 946 relative max_delta = 5.406465e-07 iteration 947 relative max_delta = 5.361740e-07 iteration 948 relative max_delta = 5.317385e-07 iteration 949 relative max_delta = 5.273396e-07 iteration 950 relative max_delta = 5.229772e-07 iteration 951 relative max_delta = 5.186509e-07 iteration 952 relative max_delta = 5.143603e-07 iteration 953 relative max_delta = 5.101052e-07 iteration 954 relative max_delta = 5.058854e-07 iteration 955 relative max_delta = 5.017004e-07 iteration 956 relative max_delta = 4.975501e-07 iteration 957 relative max_delta = 4.934341e-07 iteration 958 relative max_delta = 4.893521e-07 iteration 959 relative max_delta = 4.853039e-07 iteration 960 relative max_delta = 4.812892e-07 iteration 961 relative max_delta = 4.773077e-07 iteration 962 relative max_delta = 4.733591e-07 iteration 963 relative max_delta = 4.694432e-07 iteration 964 relative max_delta = 4.655597e-07 iteration 965 relative max_delta = 4.617084e-07 iteration 966 relative max_delta = 4.578888e-07 iteration 967 relative max_delta = 4.541009e-07 iteration 968 relative max_delta = 4.503443e-07 iteration 969 relative max_delta = 4.466188e-07 iteration 970 relative max_delta = 4.429241e-07 iteration 971 relative max_delta = 4.392600e-07 iteration 972 relative max_delta = 4.356262e-07 iteration 973 relative max_delta = 4.320224e-07 iteration 974 relative max_delta = 4.284485e-07 iteration 975 relative max_delta = 4.249041e-07 iteration 976 relative max_delta = 4.213890e-07 iteration 977 relative max_delta = 4.179030e-07 iteration 978 relative max_delta = 4.144459e-07 iteration 979 relative max_delta = 4.110173e-07 iteration 980 relative max_delta = 4.076171e-07 iteration 981 relative max_delta = 4.042451e-07 iteration 982 relative max_delta = 4.009009e-07 iteration 983 relative max_delta = 3.975844e-07 iteration 984 relative max_delta = 3.942953e-07 iteration 985 relative max_delta = 3.910334e-07 iteration 986 relative max_delta = 3.877986e-07 iteration 987 relative max_delta = 3.845904e-07 iteration 988 relative max_delta = 3.814089e-07 iteration 989 relative max_delta = 3.782536e-07 iteration 990 relative max_delta = 3.751244e-07 iteration 991 relative max_delta = 3.720212e-07 iteration 992 relative max_delta = 3.689436e-07 iteration 993 relative max_delta = 3.658914e-07 iteration 994 relative max_delta = 3.628645e-07 iteration 995 relative max_delta = 3.598627e-07 iteration 996 relative max_delta = 3.568857e-07 iteration 997 relative max_delta = 3.539333e-07 iteration 998 relative max_delta = 3.510053e-07 iteration 999 relative max_delta = 3.481015e-07 iteration 1000 relative max_delta = 3.452218e-07 iteration 1001 relative max_delta = 3.423659e-07 iteration 1002 relative max_delta = 3.395336e-07 iteration 1003 relative max_delta = 3.367248e-07 iteration 1004 relative max_delta = 3.339391e-07 iteration 1005 relative max_delta = 3.311766e-07 iteration 1006 relative max_delta = 3.284368e-07 iteration 1007 relative max_delta = 3.257198e-07 iteration 1008 relative max_delta = 3.230252e-07 iteration 1009 relative max_delta = 3.203529e-07 iteration 1010 relative max_delta = 3.177027e-07 iteration 1011 relative max_delta = 3.150745e-07 iteration 1012 relative max_delta = 3.124680e-07 iteration 1013 relative max_delta = 3.098830e-07 iteration 1014 relative max_delta = 3.073194e-07 iteration 1015 relative max_delta = 3.047771e-07 iteration 1016 relative max_delta = 3.022557e-07 iteration 1017 relative max_delta = 2.997553e-07 iteration 1018 relative max_delta = 2.972755e-07 iteration 1019 relative max_delta = 2.948162e-07 iteration 1020 relative max_delta = 2.923773e-07 iteration 1021 relative max_delta = 2.899585e-07 iteration 1022 relative max_delta = 2.875598e-07 iteration 1023 relative max_delta = 2.851809e-07 iteration 1024 relative max_delta = 2.828216e-07 iteration 1025 relative max_delta = 2.804819e-07 iteration 1026 relative max_delta = 2.781616e-07 iteration 1027 relative max_delta = 2.758604e-07 iteration 1028 relative max_delta = 2.735783e-07 iteration 1029 relative max_delta = 2.713151e-07 iteration 1030 relative max_delta = 2.690706e-07 iteration 1031 relative max_delta = 2.668446e-07 iteration 1032 relative max_delta = 2.646371e-07 iteration 1033 relative max_delta = 2.624478e-07 iteration 1034 relative max_delta = 2.602766e-07 iteration 1035 relative max_delta = 2.581234e-07 iteration 1036 relative max_delta = 2.559880e-07 iteration 1037 relative max_delta = 2.538703e-07 iteration 1038 relative max_delta = 2.517701e-07 iteration 1039 relative max_delta = 2.496873e-07 iteration 1040 relative max_delta = 2.476217e-07 iteration 1041 relative max_delta = 2.455732e-07 iteration 1042 relative max_delta = 2.435416e-07 iteration 1043 relative max_delta = 2.415268e-07 iteration 1044 relative max_delta = 2.395287e-07 iteration 1045 relative max_delta = 2.375472e-07 iteration 1046 relative max_delta = 2.355820e-07 iteration 1047 relative max_delta = 2.336331e-07 iteration 1048 relative max_delta = 2.317003e-07 iteration 1049 relative max_delta = 2.297835e-07 iteration 1050 relative max_delta = 2.278825e-07 iteration 1051 relative max_delta = 2.259973e-07 iteration 1052 relative max_delta = 2.241277e-07 iteration 1053 relative max_delta = 2.222735e-07 iteration 1054 relative max_delta = 2.204347e-07 iteration 1055 relative max_delta = 2.186111e-07 iteration 1056 relative max_delta = 2.168026e-07 iteration 1057 relative max_delta = 2.150090e-07 iteration 1058 relative max_delta = 2.132303e-07 iteration 1059 relative max_delta = 2.114663e-07 iteration 1060 relative max_delta = 2.097169e-07 iteration 1061 relative max_delta = 2.079819e-07 iteration 1062 relative max_delta = 2.062614e-07 iteration 1063 relative max_delta = 2.045550e-07 iteration 1064 relative max_delta = 2.028628e-07 iteration 1065 relative max_delta = 2.011845e-07 iteration 1066 relative max_delta = 1.995202e-07 iteration 1067 relative max_delta = 1.978696e-07 iteration 1068 relative max_delta = 1.962326e-07 iteration 1069 relative max_delta = 1.946092e-07 iteration 1070 relative max_delta = 1.929993e-07 iteration 1071 relative max_delta = 1.914026e-07 iteration 1072 relative max_delta = 1.898192e-07 iteration 1073 relative max_delta = 1.882489e-07 iteration 1074 relative max_delta = 1.866915e-07 iteration 1075 relative max_delta = 1.851471e-07 iteration 1076 relative max_delta = 1.836154e-07 iteration 1077 relative max_delta = 1.820964e-07 iteration 1078 relative max_delta = 1.805899e-07 iteration 1079 relative max_delta = 1.790959e-07 iteration 1080 relative max_delta = 1.776143e-07 iteration 1081 relative max_delta = 1.761449e-07 iteration 1082 relative max_delta = 1.746877e-07 iteration 1083 relative max_delta = 1.732425e-07 iteration 1084 relative max_delta = 1.718093e-07 iteration 1085 relative max_delta = 1.703880e-07 iteration 1086 relative max_delta = 1.689784e-07 iteration 1087 relative max_delta = 1.675805e-07 iteration 1088 relative max_delta = 1.661941e-07 iteration 1089 relative max_delta = 1.648192e-07 iteration 1090 relative max_delta = 1.634557e-07 iteration 1091 relative max_delta = 1.621035e-07 iteration 1092 relative max_delta = 1.607624e-07 iteration 1093 relative max_delta = 1.594324e-07 iteration 1094 relative max_delta = 1.581135e-07 iteration 1095 relative max_delta = 1.568054e-07 iteration 1096 relative max_delta = 1.555082e-07 iteration 1097 relative max_delta = 1.542217e-07 iteration 1098 relative max_delta = 1.529459e-07 iteration 1099 relative max_delta = 1.516806e-07 iteration 1100 relative max_delta = 1.504258e-07 iteration 1101 relative max_delta = 1.491813e-07 iteration 1102 relative max_delta = 1.479472e-07 iteration 1103 relative max_delta = 1.467232e-07 iteration 1104 relative max_delta = 1.455094e-07 iteration 1105 relative max_delta = 1.443056e-07 iteration 1106 relative max_delta = 1.431118e-07 iteration 1107 relative max_delta = 1.419279e-07 iteration 1108 relative max_delta = 1.407537e-07 iteration 1109 relative max_delta = 1.395893e-07 iteration 1110 relative max_delta = 1.384345e-07 iteration 1111 relative max_delta = 1.372892e-07 iteration 1112 relative max_delta = 1.361535e-07 iteration 1113 relative max_delta = 1.350271e-07 iteration 1114 relative max_delta = 1.339100e-07 iteration 1115 relative max_delta = 1.328022e-07 iteration 1116 relative max_delta = 1.317036e-07 iteration 1117 relative max_delta = 1.306140e-07 iteration 1118 relative max_delta = 1.295334e-07 iteration 1119 relative max_delta = 1.284618e-07 iteration 1120 relative max_delta = 1.273991e-07 iteration 1121 relative max_delta = 1.263451e-07 iteration 1122 relative max_delta = 1.252999e-07 iteration 1123 relative max_delta = 1.242633e-07 iteration 1124 relative max_delta = 1.232353e-07 iteration 1125 relative max_delta = 1.222158e-07 iteration 1126 relative max_delta = 1.212047e-07 iteration 1127 relative max_delta = 1.202020e-07 iteration 1128 relative max_delta = 1.192076e-07 iteration 1129 relative max_delta = 1.182214e-07 iteration 1130 relative max_delta = 1.172434e-07 iteration 1131 relative max_delta = 1.162734e-07 iteration 1132 relative max_delta = 1.153115e-07 iteration 1133 relative max_delta = 1.143576e-07 iteration 1134 relative max_delta = 1.134115e-07 iteration 1135 relative max_delta = 1.124733e-07 iteration 1136 relative max_delta = 1.115428e-07 iteration 1137 relative max_delta = 1.106200e-07 iteration 1138 relative max_delta = 1.097049e-07 iteration 1139 relative max_delta = 1.087973e-07 iteration 1140 relative max_delta = 1.078972e-07 iteration 1141 relative max_delta = 1.070046e-07 iteration 1142 relative max_delta = 1.061194e-07 iteration 1143 relative max_delta = 1.052414e-07 iteration 1144 relative max_delta = 1.043708e-07 iteration 1145 relative max_delta = 1.035074e-07 iteration 1146 relative max_delta = 1.026511e-07 iteration 1147 relative max_delta = 1.018018e-07 iteration 1148 relative max_delta = 1.009596e-07 iteration 1149 relative max_delta = 1.001244e-07 iteration 1150 relative max_delta = 9.929609e-08 iteration 1151 relative max_delta = 9.847463e-08 iteration 1152 relative max_delta = 9.765996e-08 iteration 1153 relative max_delta = 9.685203e-08 iteration 1154 relative max_delta = 9.605079e-08 iteration 1155 relative max_delta = 9.525617e-08 iteration 1156 relative max_delta = 9.446813e-08 iteration 1157 relative max_delta = 9.368660e-08 iteration 1158 relative max_delta = 9.291155e-08 iteration 1159 relative max_delta = 9.214290e-08 iteration 1160 relative max_delta = 9.138061e-08 iteration 1161 relative max_delta = 9.062463e-08 iteration 1162 relative max_delta = 8.987490e-08 iteration 1163 relative max_delta = 8.913138e-08 iteration 1164 relative max_delta = 8.839401e-08 iteration 1165 relative max_delta = 8.766273e-08 iteration 1166 relative max_delta = 8.693751e-08 iteration 1167 relative max_delta = 8.621828e-08 iteration 1168 relative max_delta = 8.550501e-08 iteration 1169 relative max_delta = 8.479764e-08 iteration 1170 relative max_delta = 8.409611e-08 iteration 1171 relative max_delta = 8.340040e-08 iteration 1172 relative max_delta = 8.271043e-08 iteration 1173 relative max_delta = 8.202618e-08 iteration 1174 relative max_delta = 8.134759e-08 iteration 1175 relative max_delta = 8.067461e-08 iteration 1176 relative max_delta = 8.000719e-08 iteration 1177 relative max_delta = 7.934530e-08 iteration 1178 relative max_delta = 7.868889e-08 iteration 1179 relative max_delta = 7.803790e-08 iteration 1180 relative max_delta = 7.739230e-08 iteration 1181 relative max_delta = 7.675204e-08 iteration 1182 relative max_delta = 7.611708e-08 iteration 1183 relative max_delta = 7.548737e-08 iteration 1184 relative max_delta = 7.486288e-08 iteration 1185 relative max_delta = 7.424354e-08 iteration 1186 relative max_delta = 7.362933e-08 iteration 1187 relative max_delta = 7.302020e-08 iteration 1188 relative max_delta = 7.241612e-08 iteration 1189 relative max_delta = 7.181702e-08 iteration 1190 relative max_delta = 7.122289e-08 iteration 1191 relative max_delta = 7.063367e-08 iteration 1192 relative max_delta = 7.004932e-08 iteration 1193 relative max_delta = 6.946981e-08 iteration 1194 relative max_delta = 6.889510e-08 iteration 1195 relative max_delta = 6.832513e-08 iteration 1196 relative max_delta = 6.775989e-08 iteration 1197 relative max_delta = 6.719932e-08 iteration 1198 relative max_delta = 6.664338e-08 iteration 1199 relative max_delta = 6.609205e-08 iteration 1200 relative max_delta = 6.554528e-08 iteration 1201 relative max_delta = 6.500303e-08 iteration 1202 relative max_delta = 6.446526e-08 iteration 1203 relative max_delta = 6.393195e-08 iteration 1204 relative max_delta = 6.340304e-08 iteration 1205 relative max_delta = 6.287852e-08 iteration 1206 relative max_delta = 6.235833e-08 iteration 1207 relative max_delta = 6.184244e-08 iteration 1208 relative max_delta = 6.133083e-08 iteration 1209 relative max_delta = 6.082344e-08 iteration 1210 relative max_delta = 6.032026e-08 iteration 1211 relative max_delta = 5.982123e-08 iteration 1212 relative max_delta = 5.932634e-08 iteration 1213 relative max_delta = 5.883553e-08 iteration 1214 relative max_delta = 5.834879e-08 iteration 1215 relative max_delta = 5.786608e-08 iteration 1216 relative max_delta = 5.738736e-08 iteration 1217 relative max_delta = 5.691260e-08 iteration 1218 relative max_delta = 5.644176e-08 iteration 1219 relative max_delta = 5.597483e-08 iteration 1220 relative max_delta = 5.551175e-08 iteration 1221 relative max_delta = 5.505251e-08 iteration 1222 relative max_delta = 5.459706e-08 iteration 1223 relative max_delta = 5.414539e-08 iteration 1224 relative max_delta = 5.369745e-08 iteration 1225 relative max_delta = 5.325321e-08 iteration 1226 relative max_delta = 5.281265e-08 iteration 1227 relative max_delta = 5.237574e-08 iteration 1228 relative max_delta = 5.194244e-08 iteration 1229 relative max_delta = 5.151272e-08 iteration 1230 relative max_delta = 5.108656e-08 iteration 1231 relative max_delta = 5.066393e-08 iteration 1232 relative max_delta = 5.024479e-08 iteration 1233 relative max_delta = 4.982912e-08 iteration 1234 relative max_delta = 4.941689e-08 iteration 1235 relative max_delta = 4.900806e-08 iteration 1236 relative max_delta = 4.860262e-08 iteration 1237 relative max_delta = 4.820054e-08 iteration 1238 relative max_delta = 4.780178e-08 iteration 1239 relative max_delta = 4.740632e-08 iteration 1240 relative max_delta = 4.701413e-08 iteration 1241 relative max_delta = 4.662519e-08 iteration 1242 relative max_delta = 4.623946e-08 iteration 1243 relative max_delta = 4.585692e-08 iteration 1244 relative max_delta = 4.547755e-08 iteration 1245 relative max_delta = 4.510132e-08 iteration 1246 relative max_delta = 4.472820e-08 iteration 1247 relative max_delta = 4.435817e-08 iteration 1248 relative max_delta = 4.399120e-08 iteration 1249 relative max_delta = 4.362726e-08 iteration 1250 relative max_delta = 4.326634e-08 iteration 1251 relative max_delta = 4.290840e-08 iteration 1252 relative max_delta = 4.255342e-08 iteration 1253 relative max_delta = 4.220138e-08 iteration 1254 relative max_delta = 4.185225e-08 iteration 1255 relative max_delta = 4.150601e-08 iteration 1256 relative max_delta = 4.116263e-08 iteration 1257 relative max_delta = 4.082210e-08 iteration 1258 relative max_delta = 4.048438e-08 iteration 1259 relative max_delta = 4.014945e-08 iteration 1260 relative max_delta = 3.981730e-08 iteration 1261 relative max_delta = 3.948790e-08 iteration 1262 relative max_delta = 3.916121e-08 iteration 1263 relative max_delta = 3.883724e-08 iteration 1264 relative max_delta = 3.851594e-08 iteration 1265 relative max_delta = 3.819730e-08 iteration 1266 relative max_delta = 3.788130e-08 iteration 1267 relative max_delta = 3.756791e-08 iteration 1268 relative max_delta = 3.725711e-08 iteration 1269 relative max_delta = 3.694889e-08 iteration 1270 relative max_delta = 3.664321e-08 iteration 1271 relative max_delta = 3.634006e-08 iteration 1272 relative max_delta = 3.603942e-08 iteration 1273 relative max_delta = 3.574127e-08 iteration 1274 relative max_delta = 3.544559e-08 iteration 1275 relative max_delta = 3.515235e-08 iteration 1276 relative max_delta = 3.486154e-08 iteration 1277 relative max_delta = 3.457313e-08 iteration 1278 relative max_delta = 3.428711e-08 iteration 1279 relative max_delta = 3.400345e-08 iteration 1280 relative max_delta = 3.372214e-08 iteration 1281 relative max_delta = 3.344316e-08 iteration 1282 relative max_delta = 3.316649e-08 iteration 1283 relative max_delta = 3.289211e-08 iteration 1284 relative max_delta = 3.261999e-08 iteration 1285 relative max_delta = 3.235013e-08 iteration 1286 relative max_delta = 3.208250e-08 iteration 1287 relative max_delta = 3.181708e-08 iteration 1288 relative max_delta = 3.155386e-08 iteration 1289 relative max_delta = 3.129282e-08 iteration 1290 relative max_delta = 3.103394e-08 iteration 1291 relative max_delta = 3.077719e-08 iteration 1292 relative max_delta = 3.052258e-08 iteration 1293 relative max_delta = 3.027007e-08 iteration 1294 relative max_delta = 3.001964e-08 iteration 1295 relative max_delta = 2.977129e-08 iteration 1296 relative max_delta = 2.952500e-08 iteration 1297 relative max_delta = 2.928074e-08 iteration 1298 relative max_delta = 2.903850e-08 iteration 1299 relative max_delta = 2.879827e-08 iteration 1300 relative max_delta = 2.856002e-08 iteration 1301 relative max_delta = 2.832375e-08 iteration 1302 relative max_delta = 2.808942e-08 iteration 1303 relative max_delta = 2.785704e-08 iteration 1304 relative max_delta = 2.762658e-08 iteration 1305 relative max_delta = 2.739803e-08 iteration 1306 relative max_delta = 2.717137e-08 iteration 1307 relative max_delta = 2.694658e-08 iteration 1308 relative max_delta = 2.672365e-08 iteration 1309 relative max_delta = 2.650257e-08 iteration 1310 relative max_delta = 2.628332e-08 iteration 1311 relative max_delta = 2.606588e-08 iteration 1312 relative max_delta = 2.585023e-08 iteration 1313 relative max_delta = 2.563638e-08 iteration 1314 relative max_delta = 2.542429e-08 iteration 1315 relative max_delta = 2.521396e-08 iteration 1316 relative max_delta = 2.500536e-08 iteration 1317 relative max_delta = 2.479849e-08 iteration 1318 relative max_delta = 2.459334e-08 iteration 1319 relative max_delta = 2.438988e-08 iteration 1320 relative max_delta = 2.418810e-08 iteration 1321 relative max_delta = 2.398800e-08 iteration 1322 relative max_delta = 2.378954e-08 iteration 1323 relative max_delta = 2.359274e-08 iteration 1324 relative max_delta = 2.339755e-08 iteration 1325 relative max_delta = 2.320399e-08 iteration 1326 relative max_delta = 2.301202e-08 iteration 1327 relative max_delta = 2.282165e-08 iteration 1328 relative max_delta = 2.263284e-08 iteration 1329 relative max_delta = 2.244560e-08 iteration 1330 relative max_delta = 2.225991e-08 iteration 1331 relative max_delta = 2.207576e-08 iteration 1332 relative max_delta = 2.189313e-08 iteration 1333 relative max_delta = 2.171200e-08 iteration 1334 relative max_delta = 2.153238e-08 iteration 1335 relative max_delta = 2.135425e-08 iteration 1336 relative max_delta = 2.117758e-08 iteration 1337 relative max_delta = 2.100238e-08 iteration 1338 relative max_delta = 2.082863e-08 iteration 1339 relative max_delta = 2.065632e-08 iteration 1340 relative max_delta = 2.048543e-08 iteration 1341 relative max_delta = 2.031595e-08 iteration 1342 relative max_delta = 2.014788e-08 iteration 1343 relative max_delta = 1.998120e-08 iteration 1344 relative max_delta = 1.981590e-08 iteration 1345 relative max_delta = 1.965196e-08 iteration 1346 relative max_delta = 1.948938e-08 iteration 1347 relative max_delta = 1.932815e-08 iteration 1348 relative max_delta = 1.916825e-08 iteration 1349 relative max_delta = 1.900967e-08 iteration 1350 relative max_delta = 1.885240e-08 iteration 1351 relative max_delta = 1.869644e-08 iteration 1352 relative max_delta = 1.854176e-08 iteration 1353 relative max_delta = 1.838837e-08 iteration 1354 relative max_delta = 1.823624e-08 iteration 1355 relative max_delta = 1.808537e-08 iteration 1356 relative max_delta = 1.793576e-08 iteration 1357 relative max_delta = 1.778737e-08 iteration 1358 relative max_delta = 1.764022e-08 iteration 1359 relative max_delta = 1.749428e-08 iteration 1360 relative max_delta = 1.734955e-08 iteration 1361 relative max_delta = 1.720602e-08 iteration 1362 relative max_delta = 1.706368e-08 iteration 1363 relative max_delta = 1.692251e-08 iteration 1364 relative max_delta = 1.678251e-08 iteration 1365 relative max_delta = 1.664367e-08 iteration 1366 relative max_delta = 1.650598e-08 iteration 1367 relative max_delta = 1.636943e-08 iteration 1368 relative max_delta = 1.623400e-08 iteration 1369 relative max_delta = 1.609970e-08 iteration 1370 relative max_delta = 1.596651e-08 iteration 1371 relative max_delta = 1.583442e-08 iteration 1372 relative max_delta = 1.570342e-08 iteration 1373 relative max_delta = 1.557351e-08 iteration 1374 relative max_delta = 1.544467e-08 iteration 1375 relative max_delta = 1.531689e-08 iteration 1376 relative max_delta = 1.519018e-08 iteration 1377 relative max_delta = 1.506451e-08 iteration 1378 relative max_delta = 1.493988e-08 iteration 1379 relative max_delta = 1.481629e-08 iteration 1380 relative max_delta = 1.469371e-08 iteration 1381 relative max_delta = 1.457215e-08 iteration 1382 relative max_delta = 1.445160e-08 iteration 1383 relative max_delta = 1.433204e-08 iteration 1384 relative max_delta = 1.421347e-08 iteration 1385 relative max_delta = 1.409588e-08 iteration 1386 relative max_delta = 1.397927e-08 iteration 1387 relative max_delta = 1.386362e-08 iteration 1388 relative max_delta = 1.374893e-08 iteration 1389 relative max_delta = 1.363518e-08 iteration 1390 relative max_delta = 1.352238e-08 iteration 1391 relative max_delta = 1.341051e-08 iteration 1392 relative max_delta = 1.329957e-08 iteration 1393 relative max_delta = 1.318954e-08 iteration 1394 relative max_delta = 1.308042e-08 iteration 1395 relative max_delta = 1.297221e-08 iteration 1396 relative max_delta = 1.286489e-08 iteration 1397 relative max_delta = 1.275846e-08 iteration 1398 relative max_delta = 1.265291e-08 iteration 1399 relative max_delta = 1.254823e-08 iteration 1400 relative max_delta = 1.244442e-08 iteration 1401 relative max_delta = 1.234147e-08 iteration 1402 relative max_delta = 1.223937e-08 iteration 1403 relative max_delta = 1.213811e-08 iteration 1404 relative max_delta = 1.203770e-08 iteration 1405 relative max_delta = 1.193811e-08 iteration 1406 relative max_delta = 1.183935e-08 iteration 1407 relative max_delta = 1.174140e-08 iteration 1408 relative max_delta = 1.164426e-08 iteration 1409 relative max_delta = 1.154793e-08 iteration 1410 relative max_delta = 1.145240e-08 iteration 1411 relative max_delta = 1.135765e-08 iteration 1412 relative max_delta = 1.126369e-08 iteration 1413 relative max_delta = 1.117050e-08 iteration 1414 relative max_delta = 1.107809e-08 iteration 1415 relative max_delta = 1.098644e-08 iteration 1416 relative max_delta = 1.089555e-08 iteration 1417 relative max_delta = 1.080541e-08 iteration 1418 relative max_delta = 1.071602e-08 iteration 1419 relative max_delta = 1.062737e-08 iteration 1420 relative max_delta = 1.053945e-08 iteration 1421 relative max_delta = 1.045226e-08 iteration 1422 relative max_delta = 1.036579e-08 iteration 1423 relative max_delta = 1.028003e-08 iteration 1424 relative max_delta = 1.019498e-08 iteration 1425 relative max_delta = 1.011064e-08 iteration 1426 relative max_delta = 1.002700e-08 iteration 1427 relative max_delta = 9.944044e-09 Converged to relative tolerance of 9.944044e-09 (convergence tolerance 1.000000e-08) in 1427 iterations f_k = [ 0. 157.65833114 311.20759739 460.61799637 605.9190306 747.29266759 884.9146071 1018.81240573 1149.10831481 1275.93297625 1399.37443995 1519.40675819 1636.1159718 1749.64712462 1860.12101888 1967.59485585 2072.15734622 2173.886241 2272.82827419 2369.006801 2462.43100735 2553.25518235 2641.62070814 2727.55061771 2811.10703965 2892.32807286 2971.28214436 3048.05266169 3122.69240427 3195.28760179 3265.85973963 3334.43007425 3400.98988196 3465.58497585 3528.29990353 3589.22972139 3648.45833985 3706.00487003 3761.90067289 3816.16576311] Initializing MBAR (will estimate free energy differences first time)... Could not import working embedded C++ helper code -- using pure Python version instead. K = 40, L = 40, N_max = 55, total samples = 2200 N_k = [55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55] Initializing f_k with provided initial guess. [ 0. 157.65833114 311.20759739 460.61799637 605.9190306 747.29266759 884.9146071 1018.81240573 1149.10831481 1275.93297625 1399.37443995 1519.40675819 1636.1159718 1749.64712462 1860.12101888 1967.59485585 2072.15734622 2173.886241 2272.82827419 2369.006801 2462.43100735 2553.25518235 2641.62070814 2727.55061771 2811.10703965 2892.32807286 2971.28214436 3048.05266169 3122.69240427 3195.28760179 3265.85973963 3334.43007425 3400.98988196 3465.58497585 3528.29990353 3589.22972139 3648.45833985 3706.00487003 3761.90067289 3816.16576311] Initial dimensionless free energies f_k = [ 0. 157.65833114 311.20759739 460.61799637 605.9190306 747.29266759 884.9146071 1018.81240573 1149.10831481 1275.93297625 1399.37443995 1519.40675819 1636.1159718 1749.64712462 1860.12101888 1967.59485585 2072.15734622 2173.886241 2272.82827419 2369.006801 2462.43100735 2553.25518235 2641.62070814 2727.55061771 2811.10703965 2892.32807286 2971.28214436 3048.05266169 3122.69240427 3195.28760179 3265.85973963 3334.43007425 3400.98988196 3465.58497585 3528.29990353 3589.22972139 3648.45833985 3706.00487003 3761.90067289 3816.16576311] MBAR: Computing dimensionless free energies by iteration. This may take from seconds to minutes, depending on the quantity of data... Self-consistent iteration 0 current f_k = [ 0. 157.63462322 311.18646327 460.61077216 605.91555957 747.28154643 884.90846566 1018.81200723 1149.09381604 1275.91645587 1399.36728497 1519.39921479 1636.1011056 1749.63345314 1860.12085937 1967.59951192 2072.14632311 2173.86500109 2272.81142284 2368.99286587 2462.41701468 2553.24485024 2641.61391274 2727.54385351 2811.10071504 2892.32311697 2971.27654413 3048.04618332 3122.68432414 3195.275855 3265.8434951 3334.41191157 3400.97553448 3465.57492589 3528.29064076 3589.21846871 3648.44481982 3705.99223309 3761.89201196 3816.15907643] relative max_delta = 6.212510e-06 Determining dimensionless free energies by Newton-Raphson iteration. There are 40 states with samples. Newton-Raphson iteration 0 current f_k for states with samples = 0.0000 157.6344 311.1866 460.6119 605.9177 747.2844 884.9117 1018.8152 1149.0968 1275.9192 1399.3699 1519.4018 1636.1037 1749.6360 1860.1232 1967.6013 2072.1472 2173.8649 2272.8107 2368.9919 2462.4161 2553.2442 2641.6135 2727.5436 2811.1004 2892.3224 2971.2753 3048.0441 3122.6813 3195.2719 3265.8386 3334.4063 3400.9695 3465.5687 3528.2843 3589.2121 3648.4385 3705.9860 3761.8859 3816.1531 relative max_delta = 1.672463e-06 Newton-Raphson iteration 1 current f_k for states with samples = 0.0000 157.6325 311.1878 460.6220 605.9373 747.3102 884.9406 1018.8441 1149.1236 1275.9442 1399.3939 1519.4252 1636.1267 1749.6590 1860.1448 1967.6177 2072.1551 2173.8644 2272.8041 2368.9830 2462.4081 2553.2384 2641.6100 2727.5414 2811.0975 2892.3164 2971.2638 3048.0252 3122.6539 3195.2358 3265.7945 3334.3558 3400.9150 3465.5122 3528.2270 3589.1546 3648.3813 3705.9297 3761.8309 3816.0994 relative max_delta = 1.505262e-05 Newton-Raphson iteration 2 current f_k for states with samples = 0.0000 157.6325 311.1878 460.6220 605.9373 747.3102 884.9406 1018.8441 1149.1236 1275.9442 1399.3939 1519.4252 1636.1267 1749.6590 1860.1448 1967.6177 2072.1551 2173.8644 2272.8041 2368.9830 2462.4081 2553.2384 2641.6100 2727.5414 2811.0974 2892.3164 2971.2638 3048.0252 3122.6539 3195.2358 3265.7945 3334.3558 3400.9150 3465.5122 3528.2270 3589.1546 3648.3813 3705.9297 3761.8309 3816.0994 relative max_delta = 1.686866e-09 Converged to tolerance of 1.686866e-09 in 3 Newton-Raphson iterations. Recomputing all free energies... current f_k for all states = 0.0000 157.6325 311.1878 460.6220 605.9373 747.3102 884.9406 1018.8441 1149.1236 1275.9442 1399.3939 1519.4252 1636.1267 1749.6590 1860.1448 1967.6177 2072.1551 2173.8644 2272.8041 2368.9830 2462.4081 2553.2384 2641.6100 2727.5414 2811.0974 2892.3164 2971.2638 3048.0252 3122.6539 3195.2358 3265.7945 3334.3558 3400.9150 3465.5122 3528.2270 3589.1546 3648.3813 3705.9297 3761.8309 3816.0994 Final dimensionless free energies f_k = [ 0. 157.63251042 311.18779631 460.6220465 605.93732449 747.31023962 884.94057086 1018.84405276 1149.1236305 1275.94421204 1399.39393109 1519.42522726 1636.12674529 1749.6589715 1860.14475691 1967.61765623 2072.15510302 2173.86435797 2272.80413959 2368.98301755 2462.40809647 2553.23836409 2641.60999856 2727.5413793 2811.09744904 2892.31640837 2971.26382325 3048.02521293 3122.65390154 3195.23582594 3265.79448605 3334.35583692 3400.9150217 3465.51220373 3528.22702827 3589.15464016 3648.38133347 3705.92969504 3761.83087855 3816.09944366] Computing normalized weights... Computing potential of mean force... bins f_i = [ 2.11289956e+00 3.17991222e+00 7.60798223e+00 3.44026956e+00 1.85262207e+01 7.80217158e+00 3.94951544e+00 2.39879593e+00 8.16619995e-01 7.31017566e-01 1.52681565e+00 2.88059692e+00 3.09717866e+00 2.32544338e+00 2.91037489e+00 5.71104072e+00 3.72582033e+00 2.99623101e+00 9.97415173e-01 5.12264245e-01 2.45231187e+00 3.92330820e+00 6.41181941e+00 1.70491181e+00 3.21667129e+00 5.76994710e+01 3.15653228e+00 2.67334669e+00 9.15622584e-01 5.94941028e-01 3.83209368e+00 1.72990603e+02 4.20422690e+00 3.07387949e+00 3.48944113e+00 8.82338187e+01 1.17233257e+01 8.29469460e+00 0.00000000e+00 3.26891678e-01 3.78148549e+01 1.29591070e+02 5.70681562e+00 3.47227153e+02 2.70773962e+02 3.06195209e+02 4.51120557e+02 6.21640903e+01 9.02000078e+00 3.64796413e+02 1.46704340e+02 1.95738336e+01 4.04197619e+02 4.58080754e+02 4.81654001e+00 9.16292491e+01 2.42017115e+02 1.84979344e+02 3.59755009e+02 4.49474853e+02 2.23538827e+01 4.69717745e+02 1.21472538e+02 1.31660173e+02] Forming W_nk matrix... bin 0 count = 55 bin 1 count = 7 bin 2 count = 9 bin 3 count = 25 bin 4 count = 5 bin 5 count = 6 bin 6 count = 10 bin 7 count = 34 bin 8 count = 127 bin 9 count = 207 bin 10 count = 65 bin 11 count = 21 bin 12 count = 26 bin 13 count = 42 bin 14 count = 17 bin 15 count = 11 bin 16 count = 16 bin 17 count = 44 bin 18 count = 162 bin 19 count = 215 bin 20 count = 39 bin 21 count = 7 bin 22 count = 15 bin 23 count = 47 bin 24 count = 23 bin 25 count = 8 bin 26 count = 12 bin 27 count = 50 bin 28 count = 144 bin 29 count = 169 bin 30 count = 9 bin 31 count = 2 bin 32 count = 6 bin 33 count = 79 bin 34 count = 18 bin 35 count = 2 bin 36 count = 8 bin 37 count = 34 bin 38 count = 203 bin 39 count = 169 bin 40 count = 1 bin 41 count = 3 bin 42 count = 9 bin 43 count = 2 bin 44 count = 2 bin 45 count = 1 bin 46 count = 1 bin 47 count = 4 bin 48 count = 5 bin 49 count = 2 bin 50 count = 3 bin 51 count = 5 bin 52 count = 1 bin 53 count = 1 bin 54 count = 1 bin 55 count = 1 bin 56 count = 1 bin 57 count = 1 bin 58 count = 1 bin 59 count = 1 bin 60 count = 1 bin 61 count = 1 bin 62 count = 1 bin 63 count = 3 2D PMF bin phi psi N f df 0 -162.0 -162.0 55 2.113 0.559 1 -162.0 -126.0 7 3.180 1.017 2 -162.0 -90.0 9 7.608 1.033 3 -162.0 -54.0 25 3.440 0.999 4 -162.0 -18.0 5 18.526 0.838 5 -162.0 18.0 6 7.802 1.034 6 -162.0 54.0 10 3.950 1.021 7 -162.0 90.0 34 2.399 0.652 8 -162.0 126.0 127 0.817 0.309 9 -162.0 162.0 207 0.731 0.305 10 -126.0 -162.0 65 1.527 0.421 11 -126.0 -126.0 21 2.881 0.755 12 -126.0 -90.0 26 3.097 0.957 13 -126.0 -54.0 42 2.325 0.620 14 -126.0 -18.0 17 2.910 0.781 15 -126.0 18.0 11 5.711 1.018 16 -126.0 54.0 16 3.726 1.018 17 -126.0 90.0 44 2.996 0.860 18 -126.0 126.0 162 0.997 0.358 19 -126.0 162.0 215 0.512 0.288 20 -90.0 -162.0 39 2.452 0.564 21 -90.0 -126.0 7 3.923 0.796 22 -90.0 -90.0 15 6.412 1.029 23 -90.0 -54.0 47 1.705 0.466 24 -90.0 -18.0 23 3.217 0.992 25 -90.0 18.0 8 57.699 1.091 26 -90.0 54.0 12 3.157 1.017 27 -90.0 90.0 50 2.673 0.657 28 -90.0 126.0 144 0.916 0.346 29 -90.0 162.0 169 0.595 0.291 30 -54.0 -162.0 9 3.832 0.949 31 -54.0 -126.0 2 172.991 1.143 32 -54.0 -90.0 6 4.204 1.009 33 -54.0 -54.0 79 3.074 0.713 34 -54.0 -18.0 18 3.489 0.758 35 -54.0 18.0 2 88.234 1.108 36 -54.0 54.0 8 11.723 0.747 37 -54.0 90.0 34 8.295 0.845 38 -54.0 126.0 203 0.000 0.000 39 -54.0 162.0 169 0.327 0.266 40 -18.0 -90.0 1 37.815 1.075 41 -18.0 -54.0 3 129.591 1.127 42 -18.0 126.0 9 5.707 0.875 43 -18.0 162.0 2 347.227 1.186 44 18.0 -90.0 2 270.774 1.170 45 18.0 18.0 1 306.195 1.178 46 18.0 54.0 1 451.121 1.204 47 54.0 -162.0 4 62.164 1.094 48 54.0 -126.0 5 9.020 1.037 49 54.0 -90.0 2 364.796 1.190 50 54.0 -54.0 3 146.704 1.134 51 54.0 54.0 5 19.574 1.055 52 54.0 90.0 1 404.198 1.197 53 90.0 -162.0 1 458.081 1.205 54 90.0 -126.0 1 4.817 1.025 55 90.0 -90.0 1 91.629 1.110 56 90.0 -18.0 1 242.017 1.163 57 126.0 -162.0 1 184.979 1.147 58 126.0 -90.0 1 359.755 1.189 59 126.0 -54.0 1 449.475 1.203 60 126.0 126.0 1 22.354 1.059 61 162.0 90.0 1 469.718 1.206 62 162.0 126.0 1 121.473 1.124 63 162.0 162.0 3 131.660 1.127