Extract continuous and discrete relaxation spectra from G(t)

Related tags

Miscellaneous pyReSpect-time
Overview

pyReSpect-time

Extract continuous and discrete relaxation spectra from stress relaxation modulus G(t). The papers which describe the method and test cases are:

  • Shanbhag, S., "pyReSpect: A Computer Program to Extract Discrete and Continuous Spectra from Stress Relaxation Experiments", Macromolecular Theory and Simulations, 2019, 1900005 [doi: 10.1002/mats.201900005].
  • Takeh, A. and Shanbhag, S. "A computer program to extract the continuous and discrete relaxation spectra from dynamic viscoelastic measurements", Appl. Rheol. 2013, 23, 24628.

Files

Code Files

This repository contains two python modules contSpec.py discSpec.py. They extract the continuous and discrete relaxation spectra from a stress relaxation data. (t versus G(t) experiment or simulation).

It containts a third module common.py which contains utilities required by both contSpec.py and discSpec.py.

In addition to the python modules, a jupyter notebook interactContSpec.ipynb is also provisionally included. This allows the user to experiment with parameter settings interactively.

Input Files

The user is expected to supply two files:

  • inp.dat is used to control parameters and settings
  • Gt.dat which contains two columns of data t and G(t)

Output Files

Text files containting output from the code are stored in a directory output/. These include a fit of the data, the spectra, and other files relevant to the continuous or discrete spectra calculation.

Graphical and onscreen output can be suppressed by appropriate flags in inp.dat.

Test Files

A bunch of test files are supplied in the folder tests/. These data are described in the paper: Shanbhag, S., "pyReSpect: A Computer Program to Extract Discrete and Continuous Spectra from Stress Relaxation Experiments" which will appear in Macromolecular Theory and Simulations in 2019.

Usage

Once inp.dat and Gt.dat are furnished, running the code is simple.

To get the continuous spectrum:

python3 contSpec.py

The continuous spectrum must be extracted before the discrete spectrum is computed. The discrete spectrum can then be calculated by

python3 discSpec.py

Interactive Mode

The interactive mode offers a "GUI" for exploring parameter settings. To launch use jupyter notebook interactContSpec.ipynb.

Pre-requisites

The numbers in parenthesis show the version this has been tested on.

python3 (3.5.2) numpy (1.14.2) scipy (1.0.1)

For interactive mode:

jupyter (4.3) ipywidgets (6.0.0)

History

The code is based on the Matlab program ReSpect, which extract the continuous and discrete relaxation spectra from frequency data, G*(w). Work was supported by National Science Foundation DMR grants number 0953002 and 1727870.

Major Upgrade: March-April 2019

  • added ability to infer plateau modulus G0; modified all python routines and reorganized inp.dat
  • use a Bayesian formulation to infer uncertainty in the continuous spectrum
  • currently keeping old method to determine critical lambda, but using a far more efficient method (3-4x savings in compute time)
  • made discSpec.py compliant with G0

Major Upgrade: December 2018

  • moved all common imports and definitions to common; made completely visible
  • in discSpec(): added a NLLS routine to optimize tau; use previous optima as initial guesses for final tau; this greatly improved the quality of fits.

Major Upgrade: August 2018

Continuous Spectrum

  • orignal program with n = 100 and lambda = 20 pts with clean 1 mode data took ~33s.
  • prestore kernMat: evaluation of kernel (meshgrid S, T, and hs) by prestoring kernMat ~12.5s (~3x speed gain)
  • improved least_squares setting by incorporating jacobianLM; ~6s (2x gain)
  • lcurve coarser (auto) mesh, robust criterion, and interpolation ~3.5s (~1.75x gain)
  • Total gain in speed as a consequence of these improvements is 33s -> 3.5s a nearly 10x gain!
  • making jupyter interact compliant

Discrete Spectrum

  • AutoMagic Mode: need only par verbose and plotting flags; auto Nopt
  • switching to nnls as default fitting engine
  • changed older MaxwellModes and LLS -> nnls
  • some printing modifications
  • hardcoding prune = True everywhere; doesn't seem to be use case otherwise
  • making jupyter interact compliant
Comments
  • FileNotFoundError: [Errno 2] No such file or directory: 'output/logP.pdf'

    FileNotFoundError: [Errno 2] No such file or directory: 'output/logP.pdf'

    I have unpacked the package and run it according to the following command python3 contSpec.py Consequently, it fails with the output of the screen

    () Start () Loading Data File: tests/test4.dat... () Initial Set up... (0.3 seconds) () Building the L-curve ...Traceback (most recent call last): File "contSpec.py", line 614, in H, lamC = getContSpec(par) File "contSpec.py", line 416, in getContSpec lamC, lam, rho, eta, logP, Hlam = lcurve(Gexp, Hgs, kernMat, par) File "contSpec.py", line 226, in lcurve plt.savefig('output/logP.pdf') File "/usr/lib64/python3.6/site-packages/matplotlib/pyplot.py", line 697, in savefig res = fig.savefig(*args, **kwargs) File "/usr/lib64/python3.6/site-packages/matplotlib/figure.py", line 1573, in savefig self.canvas.print_figure(*args, **kwargs) File "/usr/lib64/python3.6/site-packages/matplotlib/backend_bases.py", line 2252, in print_figure **kwargs) File "/usr/lib64/python3.6/site-packages/matplotlib/backends/backend_pdf.py", line 2519, in print_pdf file = PdfFile(filename) File "/usr/lib64/python3.6/site-packages/matplotlib/backends/backend_pdf.py", line 422, in init fh = open(filename, 'wb') FileNotFoundError: [Errno 2] No such file or directory: 'output/logP.pdf'

    How to deal with it? I look forward to your reply.

    opened by xiaowu759 10
  • an imcomplete CRS

    an imcomplete CRS

    I have generated the H(t) from P2.dat using the pyReSpect-time tool with the default settings. As one consequence, the H(t) appears to be imcomplete, namely, the peak at the longer time does not show at all. The data in the two files are attached below. How to deal with this problem? Thank you for any reply!

    P2.dat: 5 0.7325 10 0.66744 15 0.62167 20 0.58591 25 0.55637 30 0.53125 35 0.50954 40 0.49054 45 0.47351 50 0.45811 55 0.44451 60 0.43189 65 0.42033 70 0.40968 75 0.39989 80 0.39088 85 0.38256 90 0.37476 95 0.3673 100 0.36052 105 0.35395 110 0.34783 115 0.34206 120 0.33652 125 0.33139 130 0.32648 135 0.32183 140 0.31741 145 0.31318 150 0.30926 155 0.30542 160 0.30173 165 0.29822 170 0.29477 175 0.29162 180 0.28853 185 0.28553 190 0.2827 195 0.27986 200 0.27709 205 0.27453 210 0.27221 215 0.26981 220 0.26757 225 0.26538 230 0.2632 235 0.26112 240 0.25896 245 0.25692 250 0.25501 255 0.25315 260 0.25135 265 0.24953 270 0.24783 275 0.24623 280 0.24468 285 0.24312 290 0.24151 295 0.2399 300 0.23848 305 0.23699 310 0.23563 315 0.23421 320 0.23286 325 0.23159 330 0.23038 335 0.2291 340 0.22786 345 0.22664 350 0.22554 355 0.2244 360 0.22337 365 0.22224 370 0.2211 375 0.21992 380 0.21885 385 0.2179 390 0.21688 395 0.21584 400 0.21487 405 0.21398 410 0.213 415 0.21203 420 0.21119 425 0.21034 430 0.20939 435 0.20845 440 0.20759 445 0.20673 450 0.20591 455 0.20515 460 0.20427 465 0.20354 470 0.20272 475 0.20188 480 0.2011 485 0.2003 490 0.19959 495 0.19878 500 0.198 505 0.19734 510 0.1968 515 0.19623 520 0.19537 525 0.19471 530 0.19411 535 0.19346 540 0.19276 545 0.19212 550 0.19152 555 0.19089 560 0.19037 565 0.18986 570 0.18927 575 0.18875 580 0.18824 585 0.18762 590 0.18707 595 0.18659 600 0.18604 605 0.18545 610 0.18494 615 0.18434 620 0.18389 625 0.1834 630 0.18281 635 0.18232 640 0.18168 645 0.18114 650 0.18061 655 0.18007 660 0.17953 665 0.17919 670 0.17862 675 0.17822 680 0.17774 685 0.17734 690 0.17682 695 0.1763 700 0.17577 705 0.1753 710 0.17471 715 0.17418 720 0.17373 725 0.1733 730 0.17283 735 0.17253 740 0.172 745 0.1716 750 0.17113 755 0.17064 760 0.1702 765 0.16985 770 0.16948 775 0.16914 780 0.1688 785 0.16836 790 0.16792 795 0.16751 800 0.1672 805 0.16683 810 0.16658 815 0.16617 820 0.16575 825 0.16539 830 0.165 835 0.16461 840 0.16423 845 0.16384 850 0.16346 855 0.16301 860 0.16277 865 0.16242 870 0.16212 875 0.16178 880 0.16137 885 0.16109 890 0.16078 895 0.16045 900 0.16007 905 0.1598 910 0.15946 915 0.15911 920 0.15886 925 0.15854 930 0.15817 935 0.1581 940 0.15774 945 0.15745 950 0.1571 955 0.15666 960 0.15641 965 0.15617 970 0.15579 975 0.15551 980 0.15522 985 0.15492 990 0.15475 995 0.15461 1000 0.15439 1005 0.15417 1010 0.15387 1015 0.15366 1020 0.15329 1025 0.15296 1030 0.15276 1035 0.15239 1040 0.15218 1045 0.15184 1050 0.15152 1055 0.15128 1060 0.15102 1065 0.15076 1070 0.15053 1075 0.15037 1080 0.15001 1085 0.14975 1090 0.14962 1095 0.14932 1100 0.14905 1105 0.14874 1110 0.14851 1115 0.14815 1120 0.14786 1125 0.14757 1130 0.14727 1135 0.1471 1140 0.14699 1145 0.14673 1150 0.14653 1155 0.14625 1160 0.14598 1165 0.14587 1170 0.14547 1175 0.14527 1180 0.14504 1185 0.14483 1190 0.14457 1195 0.1444 1200 0.14425 1205 0.1441 1210 0.14385 1215 0.14364 1220 0.14351 1225 0.14325 1230 0.14307 1235 0.14274 1240 0.14249 1245 0.14219 1250 0.14197 1255 0.1417 1260 0.1415 1265 0.14118 1270 0.1409 1275 0.14063 1280 0.14025 1285 0.13994 1290 0.13975 1295 0.13946 1300 0.13916 1305 0.13885 1310 0.13865 1315 0.13845 1320 0.13818 1325 0.13783 1330 0.13762 1335 0.13748 1340 0.13733 1345 0.13712 1350 0.1369 1355 0.13669 1360 0.13653 1365 0.13632 1370 0.13612 1375 0.13594 1380 0.13573 1385 0.13548 1390 0.1353 1395 0.13513 1400 0.13491 1405 0.13478 1410 0.13454 1415 0.13439 1420 0.13422 1425 0.13408 1430 0.13388 1435 0.13373 1440 0.13351 1445 0.13329 1450 0.13304 1455 0.13283 1460 0.1327 1465 0.13263 1470 0.13239 1475 0.13213 1480 0.13192 1485 0.1318 1490 0.13157 1495 0.13128 1500 0.13116 1505 0.13102 1510 0.13095 1515 0.13079 1520 0.13068 1525 0.13051 1530 0.13025 1535 0.13007 1540 0.12998 1545 0.12974 1550 0.1296 1555 0.12935 1560 0.12925 1565 0.129 1570 0.12881 1575 0.12858 1580 0.12846 1585 0.12832 1590 0.12818 1595 0.12796 1600 0.1277 1605 0.12766 1610 0.12742 1615 0.12727 1620 0.12714 1625 0.12695 1630 0.12684 1635 0.12676 1640 0.1267 1645 0.12648 1650 0.12635 1655 0.12624 1660 0.12614 1665 0.12601 1670 0.12589 1675 0.12574 1680 0.12548 1685 0.12546 1690 0.12533 1695 0.12517 1700 0.12503 1705 0.12489 1710 0.12474 1715 0.12453 1720 0.12439 1725 0.12415 1730 0.1239 1735 0.12368 1740 0.12348 1745 0.12327 1750 0.12304 1755 0.12294 1760 0.12275 1765 0.12268 1770 0.12262 1775 0.12244 1780 0.1223 1785 0.12218 1790 0.12208 1795 0.12179 1800 0.12159 1805 0.12147 1810 0.12127 1815 0.12118 1820 0.12105 1825 0.12089 1830 0.12063 1835 0.12048 1840 0.12029 1845 0.12014 1850 0.12004 1855 0.11992 1860 0.11975 1865 0.11949 1870 0.11939 1875 0.11917 1880 0.11903 1885 0.11891 1890 0.11886 1895 0.11867 1900 0.11852 1905 0.11843 1910 0.11812 1915 0.11801 1920 0.11795 1925 0.11783 1930 0.1177 1935 0.11766 1940 0.11745 1945 0.11718 1950 0.11695 1955 0.11675 1960 0.11665 1965 0.11655 1970 0.11635 1975 0.11619 1980 0.11596 1985 0.11592 1990 0.11576 1995 0.11575 2000 0.11569 2005 0.1157 2010 0.11549 2015 0.11544 2020 0.11524 2025 0.11503 2030 0.11504 2035 0.11506 2040 0.11496 2045 0.11488 2050 0.11481 2055 0.11468 2060 0.11459 2065 0.11445 2070 0.11432 2075 0.11415 2080 0.11392 2085 0.11374 2090 0.11352 2095 0.1134 2100 0.11326 2105 0.11322 2110 0.11312 2115 0.11299 2120 0.11298 2125 0.11294 2130 0.11283 2135 0.11277 2140 0.11263 2145 0.11251 2150 0.11235 2155 0.11233 2160 0.11227 2165 0.11199 2170 0.11176 2175 0.11159 2180 0.11142 2185 0.11137 2190 0.11133 2195 0.11126 2200 0.11125 2205 0.11123 2210 0.11117 2215 0.11108 2220 0.11101 2225 0.11086 2230 0.11076 2235 0.11068 2240 0.1106 2245 0.11038 2250 0.11031 2255 0.11024 2260 0.11015 2265 0.11005 2270 0.10996 2275 0.10985 2280 0.10985 2285 0.10973 2290 0.10961 2295 0.10954 2300 0.10929 2305 0.1092 2310 0.10915 2315 0.10887 2320 0.10875 2325 0.1085 2330 0.10838 2335 0.10826 2340 0.10818 2345 0.108 2350 0.10795 2355 0.10784 2360 0.10772 2365 0.10744 2370 0.10738 2375 0.10731 2380 0.10712 2385 0.107 2390 0.10691 2395 0.10676 2400 0.10661 2405 0.10643 2410 0.10634 2415 0.10626 2420 0.10627 2425 0.10618 2430 0.10595 2435 0.10595 2440 0.10601 2445 0.10587 2450 0.10569 2455 0.10558 2460 0.10551 2465 0.1054 2470 0.10531 2475 0.10523 2480 0.10511 2485 0.10501 2490 0.10501 2495 0.10501 2500 0.10486 2505 0.10469 2510 0.10469 2515 0.10464 2520 0.10461 2525 0.10447 2530 0.10433 2535 0.1043 2540 0.1043 2545 0.1041 2550 0.10399 2555 0.10391 2560 0.10386 2565 0.10381 2570 0.10374 2575 0.10355 2580 0.10337 2585 0.10335 2590 0.10315 2595 0.10308 2600 0.10284 2605 0.10272 2610 0.10252 2615 0.10247 2620 0.10235 2625 0.10231 2630 0.10223 2635 0.10207 2640 0.10201 2645 0.10186 2650 0.10183 2655 0.10161 2660 0.10151 2665 0.1014 2670 0.10138 2675 0.10132 2680 0.10111 2685 0.10103 2690 0.10102 2695 0.10093 2700 0.10084 2705 0.10077 2710 0.10069 2715 0.10048 2720 0.1005 2725 0.10047 2730 0.10038 2735 0.10028 2740 0.10006 2745 0.09995

    H.dat: 1.039398e+00 -4.078540e+00 1.143499e+00 -4.012017e+00 1.258027e+00 -3.945495e+00 1.384025e+00 -3.878973e+00 1.522642e+00 -3.812451e+00 1.675143e+00 -3.745930e+00 1.842918e+00 -3.679410e+00 2.027496e+00 -3.612892e+00 2.230561e+00 -3.546376e+00 2.453963e+00 -3.479862e+00 2.699741e+00 -3.413353e+00 2.970135e+00 -3.346848e+00 3.267610e+00 -3.280348e+00 3.594878e+00 -3.213852e+00 3.954925e+00 -3.147362e+00 4.351032e+00 -3.080875e+00 4.786811e+00 -3.014392e+00 5.266236e+00 -2.947914e+00 5.793678e+00 -2.881444e+00 6.373945e+00 -2.814986e+00 7.012330e+00 -2.748554e+00 7.714653e+00 -2.682166e+00 8.487317e+00 -2.615855e+00 9.337368e+00 -2.549670e+00 1.027256e+01 -2.483679e+00 1.130141e+01 -2.417979e+00 1.243330e+01 -2.352698e+00 1.367857e+01 -2.288002e+00 1.504855e+01 -2.224102e+00 1.655574e+01 -2.161259e+00 1.821389e+01 -2.099784e+00 2.003811e+01 -2.040047e+00 2.204503e+01 -1.982468e+00 2.425296e+01 -1.927523e+00 2.668202e+01 -1.875731e+00 2.935437e+01 -1.827645e+00 3.229437e+01 -1.783840e+00 3.552882e+01 -1.744897e+00 3.908723e+01 -1.711377e+00 4.300202e+01 -1.683806e+00 4.730891e+01 -1.662644e+00 5.204715e+01 -1.648273e+00 5.725995e+01 -1.640968e+00 6.299484e+01 -1.640888e+00 6.930412e+01 -1.648063e+00 7.624530e+01 -1.662393e+00 8.388167e+01 -1.683650e+00 9.228287e+01 -1.711490e+00 1.015255e+02 -1.745466e+00 1.116938e+02 -1.785051e+00 1.228806e+02 -1.829660e+00 1.351877e+02 -1.878672e+00 1.487275e+02 -1.931453e+00 1.636233e+02 -1.987375e+00 1.800111e+02 -2.045834e+00 1.980402e+02 -2.106258e+00 2.178750e+02 -2.168116e+00 2.396963e+02 -2.230920e+00 2.637032e+02 -2.294222e+00 2.901145e+02 -2.357610e+00 3.191710e+02 -2.420700e+00 3.511377e+02 -2.483130e+00 3.863061e+02 -2.544548e+00 4.249967e+02 -2.604605e+00 4.675624e+02 -2.662950e+00 5.143913e+02 -2.719226e+00 5.659103e+02 -2.773064e+00 6.225893e+02 -2.824087e+00 6.849450e+02 -2.871909e+00 7.535459e+02 -2.916143e+00 8.290176e+02 -2.956401e+00 9.120481e+02 -2.992306e+00 1.003395e+03 -3.023495e+00 1.103890e+03 -3.049628e+00 1.214451e+03 -3.070392e+00 1.336084e+03 -3.085513e+00 1.469900e+03 -3.094756e+00 1.617119e+03 -3.097932e+00 1.779082e+03 -3.094903e+00 1.957267e+03 -3.085584e+00 2.153297e+03 -3.069946e+00 2.368962e+03 -3.048014e+00 2.606226e+03 -3.019874e+00 2.867253e+03 -2.985664e+00 3.154424e+03 -2.945581e+00 3.470357e+03 -2.899874e+00 3.817932e+03 -2.848840e+00 4.200318e+03 -2.792827e+00 4.621003e+03 -2.732220e+00 5.083821e+03 -2.667443e+00 5.592993e+03 -2.598949e+00 6.153161e+03 -2.527211e+00 6.769434e+03 -2.452717e+00 7.447429e+03 -2.375955e+00 8.193329e+03 -2.297405e+00 9.013935e+03 -2.217523e+00 9.916729e+03 -2.136727e+00 1.090994e+04 -2.055378e+00 1.200263e+04 -1.973765e+00 1.320476e+04 -1.892080e+00

    opened by xiaowu759 3
  • How to reproduce the CRS of test 2?

    How to reproduce the CRS of test 2?

    I used the default setting in inp.dat to test the test 2 in the tests directory. I found that the DRS could be reproduced successfully. But the CRS (say H.dat) exhibits only bimodal not four modes as expected. How to reproduce the CRS in Figure 2b in the paper [Macromol. Theory Simul. 2019, 1900005]? Could you give me some hints, please?

    H.dat: 2.078796e-04 -5.785635e+00 2.410452e-04 -5.642137e+00 2.795021e-04 -5.498639e+00 3.240945e-04 -5.355141e+00 3.758014e-04 -5.211644e+00 4.357576e-04 -5.068146e+00 5.052794e-04 -4.924649e+00 5.858929e-04 -4.781154e+00 6.793676e-04 -4.637662e+00 7.877556e-04 -4.494175e+00 9.134360e-04 -4.350699e+00 1.059168e-03 -4.207240e+00 1.228150e-03 -4.063808e+00 1.424092e-03 -3.920420e+00 1.651295e-03 -3.777099e+00 1.914746e-03 -3.633878e+00 2.220230e-03 -3.490805e+00 2.574450e-03 -3.347942e+00 2.985184e-03 -3.205373e+00 3.461448e-03 -3.063208e+00 4.013695e-03 -2.921591e+00 4.654050e-03 -2.780698e+00 5.396568e-03 -2.640755e+00 6.257550e-03 -2.502032e+00 7.255894e-03 -2.364857e+00 8.413517e-03 -2.229617e+00 9.755829e-03 -2.096761e+00 1.131230e-02 -1.966798e+00 1.311709e-02 -1.840299e+00 1.520982e-02 -1.717885e+00 1.763643e-02 -1.600220e+00 2.045019e-02 -1.487988e+00 2.371286e-02 -1.381879e+00 2.749607e-02 -1.282554e+00 3.188286e-02 -1.190621e+00 3.696952e-02 -1.106600e+00 4.286773e-02 -1.030895e+00 4.970695e-02 -9.637634e-01 5.763732e-02 -9.052949e-01 6.683291e-02 -8.554025e-01 7.749559e-02 -8.138203e-01 8.985943e-02 -7.801143e-01 1.041958e-01 -7.537056e-01 1.208195e-01 -7.339024e-01 1.400953e-01 -7.199385e-01 1.624464e-01 -7.110155e-01 1.883635e-01 -7.063446e-01 2.184155e-01 -7.051847e-01 2.532620e-01 -7.068740e-01 2.936680e-01 -7.108541e-01 3.405205e-01 -7.166850e-01 3.948480e-01 -7.240518e-01 4.578430e-01 -7.327624e-01 5.308884e-01 -7.427391e-01 6.155876e-01 -7.540035e-01 7.137999e-01 -7.666547e-01 8.276812e-01 -7.808445e-01 9.597314e-01 -7.967449e-01 1.112849e+00 -8.145124e-01 1.290396e+00 -8.342457e-01 1.496269e+00 -8.559398e-01 1.734987e+00 -8.794369e-01 2.011791e+00 -9.043774e-01 2.332757e+00 -9.301558e-01 2.704931e+00 -9.558872e-01 3.136482e+00 -9.803907e-01 3.636884e+00 -1.002197e+00 4.217121e+00 -1.019589e+00 4.889930e+00 -1.030674e+00 5.670081e+00 -1.033499e+00 6.574700e+00 -1.026205e+00 7.623643e+00 -1.007219e+00 8.839937e+00 -9.754756e-01 1.025028e+01 -9.306622e-01 1.188564e+01 -8.734646e-01 1.378190e+01 -8.057913e-01 1.598070e+01 -7.309370e-01 1.853029e+01 -6.536395e-01 2.148666e+01 -5.799788e-01 2.491470e+01 -5.170739e-01 2.888965e+01 -4.725616e-01 3.349877e+01 -4.538915e-01 3.884324e+01 -4.675359e-01 4.504039e+01 -5.182642e-01 5.222624e+01 -6.086473e-01 6.055853e+01 -7.389039e-01 7.022019e+01 -9.071082e-01 8.142328e+01 -1.109675e+00 9.441375e+01 -1.341978e+00 1.094767e+02 -1.598965e+00 1.269429e+02 -1.875654e+00 1.471957e+02 -2.167486e+00 1.706797e+02 -2.470512e+00 1.979103e+02 -2.781477e+00 2.294854e+02 -3.097803e+00 2.660980e+02 -3.417531e+00 3.085519e+02 -3.739242e+00 3.577791e+02 -4.061963e+00 4.148600e+02 -4.385089e+00 4.810477e+02 -4.708303e+00

    opened by xiaowu759 2
  • Sum of relaxation modes >> initial modulus

    Sum of relaxation modes >> initial modulus

    Dear Sir,

    Attached you may find the data file (data_135.txt) and the PyReSpect output (disc modes) for that data (dmodes.txt). The input data is a stress relaxation test conveyed in a given temperature. The fit perfectly reflects the relaxation rate. However, the "sum of relaxation moduli" (the sum of first column in output data) is far more than the initial G(t) value (by initial, I mean the first G(t) value in the input data). Is this right? It doesn't seem physically viable. I wonder if something is wrong with my input data or it's just my ignorance. I apologize in advance if that's a dumb issue, there is a serious probability I'm an idiot not knowing what I am doing in the relaxation spectra domain. dmodes.txt data_135.txt

    opened by eye-wander 1
  • MaxNumModes < 10 fails

    MaxNumModes < 10 fails

    Hello,

    For my data (2400 points) discSpec.py runs fine for [MaxNumModes = 0] or [MaxNumModes > 9]. For [MaxNumModes < 10], the error is returned:

    `zboze_admin@ZBOZE:~/PyReSpect$ python3 discSpec.py

    () Start () Loading Data Files: ... tests/Gt.dat... Traceback (most recent call last): File "discSpec.py", line 529, in _ = getDiscSpecMagic(par) File "discSpec.py", line 380, in getDiscSpecMagic N = Nv[np.argmin(AIC)] File "<array_function internals>", line 5, in argmin File "/home/zboze_admin/anaconda3/lib/python3.8/site-packages/numpy/core/fromnumeric.py", line 1269, in argmin return _wrapfunc(a, 'argmin', axis=axis, out=out) File "/home/zboze_admin/anaconda3/lib/python3.8/site-packages/numpy/core/fromnumeric.py", line 58, in _wrapfunc return bound(*args, **kwds) ValueError: attempt to get argmin of an empty sequence `

    EDIT: thank you very much for your code :)

    opened by eye-wander 2
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