├── .gitignore ├── Media ├── 1.gif ├── Animated_Sierpinski_carpet.gif ├── Demo.mp4 ├── calculation_schematic.png ├── caldos_numbers.png ├── cv_workflow.png ├── expt_thermal_conductivity.png ├── frac_heatflux.png ├── fractal_heatflow.png ├── heat_sink.jpg ├── mos2_structure.png ├── run_button.png └── thermal.jpg ├── README.md ├── Temperature.txt ├── caldos.py ├── dos.c ├── dos.h ├── examples ├── dos │ ├── caldos.py │ ├── dos.c │ └── dos.h └── scaling │ ├── L_scale1000.txt │ ├── L_scale600.txt │ ├── L_scale800.txt │ ├── T_scale100.txt │ ├── T_scale200.txt │ ├── T_scale300.txt │ ├── input.txt │ ├── input_Lscale.txt │ ├── input_Tscale_100.txt │ ├── input_Tscale_200.txt │ ├── input_Tscale_300.txt │ ├── py_tc_lammps.py │ └── scaling_params.txt ├── input.txt ├── py_tc_lammps.py └── scaling_params.txt /.gitignore: -------------------------------------------------------------------------------- 1 | # Byte-compiled / optimized / DLL files 2 | __pycache__/ 3 | *.py[cod] 4 | *$py.class 5 | 6 | # C extensions 7 | *.so 8 | 9 | # Distribution / packaging 10 | .Python 11 | build/ 12 | develop-eggs/ 13 | dist/ 14 | downloads/ 15 | eggs/ 16 | .eggs/ 17 | lib/ 18 | lib64/ 19 | parts/ 20 | sdist/ 21 | var/ 22 | wheels/ 23 | *.egg-info/ 24 | .installed.cfg 25 | *.egg 26 | MANIFEST 27 | 28 | # PyInstaller 29 | # Usually these files are written by a python script from a template 30 | # before PyInstaller builds the exe, so as to inject date/other infos into it. 31 | *.manifest 32 | *.spec 33 | 34 | # Installer logs 35 | pip-log.txt 36 | pip-delete-this-directory.txt 37 | 38 | # Unit test / coverage reports 39 | htmlcov/ 40 | .tox/ 41 | .coverage 42 | .coverage.* 43 | .cache 44 | nosetests.xml 45 | coverage.xml 46 | *.cover 47 | .hypothesis/ 48 | .pytest_cache/ 49 | 50 | # Translations 51 | *.mo 52 | *.pot 53 | 54 | # Django stuff: 55 | *.log 56 | local_settings.py 57 | db.sqlite3 58 | 59 | # Flask stuff: 60 | instance/ 61 | .webassets-cache 62 | 63 | # Scrapy stuff: 64 | .scrapy 65 | 66 | # Sphinx documentation 67 | docs/_build/ 68 | 69 | # PyBuilder 70 | target/ 71 | 72 | # Jupyter Notebook 73 | .ipynb_checkpoints 74 | 75 | # pyenv 76 | .python-version 77 | 78 | # celery beat schedule file 79 | celerybeat-schedule 80 | 81 | # SageMath parsed files 82 | *.sage.py 83 | 84 | # Environments 85 | .env 86 | .venv 87 | env/ 88 | venv/ 89 | ENV/ 90 | env.bak/ 91 | venv.bak/ 92 | 93 | # Spyder project settings 94 | .spyderproject 95 | .spyproject 96 | 97 | # Rope project settings 98 | .ropeproject 99 | 100 | # mkdocs documentation 101 | /site 102 | 103 | # mypy 104 | .mypy_cache/ 105 | -------------------------------------------------------------------------------- /Media/1.gif: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/USCCACS/ThermalTools/526e5512ee0b7cd815b1736065c633477f239e0a/Media/1.gif -------------------------------------------------------------------------------- /Media/Animated_Sierpinski_carpet.gif: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/USCCACS/ThermalTools/526e5512ee0b7cd815b1736065c633477f239e0a/Media/Animated_Sierpinski_carpet.gif -------------------------------------------------------------------------------- /Media/Demo.mp4: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/USCCACS/ThermalTools/526e5512ee0b7cd815b1736065c633477f239e0a/Media/Demo.mp4 -------------------------------------------------------------------------------- /Media/calculation_schematic.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/USCCACS/ThermalTools/526e5512ee0b7cd815b1736065c633477f239e0a/Media/calculation_schematic.png -------------------------------------------------------------------------------- /Media/caldos_numbers.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/USCCACS/ThermalTools/526e5512ee0b7cd815b1736065c633477f239e0a/Media/caldos_numbers.png -------------------------------------------------------------------------------- /Media/cv_workflow.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/USCCACS/ThermalTools/526e5512ee0b7cd815b1736065c633477f239e0a/Media/cv_workflow.png -------------------------------------------------------------------------------- /Media/expt_thermal_conductivity.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/USCCACS/ThermalTools/526e5512ee0b7cd815b1736065c633477f239e0a/Media/expt_thermal_conductivity.png -------------------------------------------------------------------------------- /Media/frac_heatflux.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/USCCACS/ThermalTools/526e5512ee0b7cd815b1736065c633477f239e0a/Media/frac_heatflux.png -------------------------------------------------------------------------------- /Media/fractal_heatflow.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/USCCACS/ThermalTools/526e5512ee0b7cd815b1736065c633477f239e0a/Media/fractal_heatflow.png -------------------------------------------------------------------------------- /Media/heat_sink.jpg: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/USCCACS/ThermalTools/526e5512ee0b7cd815b1736065c633477f239e0a/Media/heat_sink.jpg -------------------------------------------------------------------------------- /Media/mos2_structure.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/USCCACS/ThermalTools/526e5512ee0b7cd815b1736065c633477f239e0a/Media/mos2_structure.png -------------------------------------------------------------------------------- /Media/run_button.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/USCCACS/ThermalTools/526e5512ee0b7cd815b1736065c633477f239e0a/Media/run_button.png -------------------------------------------------------------------------------- /Media/thermal.jpg: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/USCCACS/ThermalTools/526e5512ee0b7cd815b1736065c633477f239e0a/Media/thermal.jpg -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- 1 | ## Outline for the Manual 2 | 3 | 1. [**Background**](#1.-Background) : Introduction to thermal conductivity, of materials 4 | 2. [**NEMD simulations**](#2.-NEMD-Simulations) : Calculation of using molecular dynamics simulations 5 | 3. [**System size scaling**](#3.-System-size-scaling) : Effect of simulation cell size on calculated 6 | 4. [**Temperature scaling**](#4.-Temperature-scaling) : Effect of system temperature on calculated 7 | 5. [**Thermal conductivity plugins**](#5.-Thermal-conductivity-plugins) : Calculating of MoS2 8 | 6. [**Quantum corrections**](#6.-Quantum-corrections) : Beyond classical thermal conductivity simulations 9 | * Velocity autocorrelation in equilibrium simulations 10 | * Phonon density of states 11 | * Specific heat of materials 12 | * Quantum-corrected thermal conductivity 13 | 7. [**Summary**](#7.-Summary) : Things to remember when you do your own thermal conductivity simulations 14 | 8. [**Current research applications**](#8.-Current-research-applications) : Engineering thermal conductivity of materials. Brief look at thermal conductivity of fractal and alloyed systems 15 | 9. [**References**](#9.-References) 16 | 17 | # 1. Background 18 | 19 | 20 | ## Introduction to thermal conductivity 21 | 22 | 23 | * Thermal conductivity (denoted by the symbol ) is a fundamental property of materials that determines their ability to conduct (i.e. transmit) heat (See Refs 1,2). Materials with a higher values conduct heat well and low- materials are more insulating (Ref 9.). 24 | 25 |
26 |

Table 1: Thermal conductivity of common materials

27 |
28 | 29 | | Material | (W/m-K) | 30 | |----------------|:-------------------------------------:| 31 | | Diamond | 1000 | 32 | | Silver | 406 | 33 | | Copper | 401 | 34 | | Water | 0.591 | 35 | | Wood | 0.12 | 36 | | Wool | 0.0464 | 37 | | Air | 0.025 | 38 | | Silica Aerogel | 0.003 | 39 | 40 | 41 | * High- materials are commonly used in heat-sink and thermal-dissipation applications and materials with low thermal conductivity are used primarily for insulation. Low insulating materials are also used for thermoelectric energy harvesting applications (See [Section 8](#8.-Current-research-applications)). 42 | 43 | * Both high and low materials are extremely useful for engineers. 44 | # 2. NEMD Simulations 45 | 46 | ### Theory and Equations 47 | 48 | As described previously, thermal conductivity is calculated by measuring the temperature gradient along the material. We establish the thermal gradient by adding and removing a predefined quantity of heat, E0, at and respectively. Since we can control the amount, E0 and frequency of heat input, , we effectively control the heat flux in the system. Once the steady-state temperature profile is established in the simulation cell, we combine the temperature profile with the known heatflux to calculate the thermal conductivity. 49 | 50 | Specifically, 51 | 52 | Heat Flux, 53 | 54 | The factor comes from the fact that heat conduction happens along both the +x and -x directions away from the heat source at . 55 | 56 | Also, from Fourier's law of thermal conduction, we have , where A is the cross sectional area of heat transfer. (Ref 6) 57 | 58 | Putting these equations together, we have 59 | 60 | Note here that the thermal conductivity goes as the _inverse_ of the temperature gradient. More conducting material will have 'flatter' temperature profiles. 61 | 62 |
63 |

Image 1: Schematic of NEMD simulations for measuring thermal conductivity of 2D materials

64 | 65 |
66 | 67 | # 3. System size scaling 68 | 69 | ## Thermal conductivity is affected by size of the system in NEMD simulations 70 | Length Scaling is a direct consequence because of MD. The thermal transport in NEMD happens over two square regions. Phonons having mean free path largest than the size of the square do not take part in thermal transport in our system setup. As the system increases in size, more and more phonons are being involved in thermal transport. Studies have shown the mean free path for Transition metal Dichalcogenides is of the order of 1000 nm \cite{gandi2016thermal}. It is therefore essential to scale systems to at least one third its value. 71 | 72 | These simulations are performed inside the Casimir Limit (See Ref.13). This results in thermal conductivity values having a strong size dependence. Following the scaling scheme of Schon which uses Matthiessen's Rule . To predict the thermal conductivity of the infinite system we make use of a linear function such as 73 | 74 | 75 | Here, is the inverse scattering length relating to the heat source-sink distance and is the material's inverse scattering length because of phonon phonon scattering. 76 | 77 | It is important to note that length scaling happens in two dimensions. It is important to maintain a 2:1 ratio between length and width while increasing system size. The major difference is that one dimensional scaling ignores the contribution of phonons with wavelengths larger than the smallest dimension of the solid, whereas two dimensional scaling is inclusive. 78 | 79 | # 4. Temperature scaling 80 | 81 | 82 | ## Thermal conductivity is affected by the temperature of the system 83 | 84 | 85 | The system temperature reflects the population of phonons in the material. At higher temperatures, there is a greater chance of phonon scattering (by other phonons) leading to reduced thermal conductivity. 86 | 87 | # 5. Thermal conductivity plugins 88 | ## Calculating of MoS2 89 | 90 | Now that we have the temperature gradient data for our length-scaling runs, we will see how to calculate the thermal conductivity values using our Python-based thermal conductivity plugin, `calthermal_conductivity.py ` 91 | 92 | The next input file, `Temperature.txt`, is a direct output of our MD simulations. This file contains the temperature of the atoms, calculated as averaged over bins along the thermal transport, i.e. x, direction. The second column is the coordinate in the system and the fourth column is the corresponding average temperature. 93 | 94 | # 6. Quantum corrections 95 | 96 | ## Going beyond classical thermal conductivity simulations 97 | 98 |

Image 4: Experimentally-measured thermal conductivity of two bulk semiconductors, Silicon and Germanium. Taken from Glassbrenner, C. J. and G. A. Slack, Phys. Rev. 134, 4A (1964) A1058-A1069

99 |
100 | 101 |
102 | 103 | The main discrepancy arises because classical molecular dynamics simulations (like ours) do not correctly describe the specific heat of materials (denoted by CV) at low temperatures. There is a method to correct for this deficiency by calculating the quantum-mechanically accurate specific heat of materials separately using equilibrium molecular dynamics simulations. This involves computing the velocity autocorrelation functions, the vibrational density of states and the specific heat, in that order, from the MD simulations, as shown below. 104 | 105 | 106 |
107 |

Image 5: Workflow for calculating specific heat from equilibrium MD simulations

108 | 109 |
110 | 111 | ### Velocity AutoCorrelation Functions (VACF) and Vibrational Density Of States (VDOS) 112 | 113 | The velocity autocorrelation function Z(t) for atom type is defined as 114 | 115 | 116 | The density of states is given by the equation 117 |
118 | 119 |
120 | Here Z is the velocity autocorrelation for each element. G() is the density of states. If you observe the following equation you can see that the vibrational density of state is simply proportional to the Fourier transform of the velocity autocorrelation. 121 |
122 | 123 | 124 | With the density of states available, we can calculate specific heat using the following equation. This simply multiplies the vibrational energy of each state with the temperature derivative of the probability of occupation of each vibrational state. 125 | 126 | 127 | 128 | where 129 | 130 | ### Major steps involved in VACF VDOS Cv calculations 131 | 132 | 1. **Create a relaxed system at any given temperature** : We use a LAMMPS Script to create a dump file. 133 | 2. **Compute the VACF, VDOS and Cv from the LAMMPS dump file** : Use the file `caldos.py` which does the calculation for you 134 | 135 | The directory also has a file `caldos.py`. This is a python script that calls a C program `dos.c` that performs the VDOS calculations for us and plots the output. We won't actually be modifying that file in today's session. `dos.c` requires an input file `input.txt` that contains values for the various parameters required for the calculation. Let us take a look at that file. 136 | 137 | It is essential to understand the variables in this file. We will talk about a few important ones. 138 | 139 | 1. `dT` refers to the time-step of the equilibrium MD simulations. 140 | 2. `TFREQ` refers to frequency with which snapshots are written out by LAMMPS. I 141 | 3. `massMo` and `massS` are the atomic masses of Molybdenum (95.94) and Sulfur (32.065) respectively. We can change them according to the atoms in the system. 142 | 4. `Corrlength` is the length of the trajectory over which VACF is calculated 143 | 5. `Ninitial` is the number of initial conditions for calculating VACF and `Ngap` is the time-delay between consecutive initial conditions. These two sampling parameters are described in detail below. 144 | 145 | ### Important points about Ninitial, Ngap and Corrlength 146 | 147 | One of the most significant improvements enabled by the thermal conductivity plugin tools is the usage of multiple initial conditions for calculation of velocity autocorrelation functions. This relies on the fact that the crystal at equilibrium 'loses memory' of its velocities after a few ps. Therefore, a single long MD trajectory can be broken into multiple overlapping independent sub-trajectories, each `Corrlength` steps long and separated from each successive sub-trajectory by `Ngap` steps. This significantly improves the sample-size for the calculation of atomic velocity correlations, often by over 1 order of magnitude. 148 | 149 | * NFrame is the total number of frames, which is equal to the number of steps that we run the simulation for. 150 | * We must ensure that 151 | 152 | * If this condition isn't satisfied we will get an error, because the program does not get enough data 153 | 154 | ## Applying Quantum corrections to our thermal conductivity 155 | 156 | 157 | The `caldos.py` script also calculates the temperature-dependent specific heat, Cv, of the material using the density of states. This value can be used to correct our thermal conductivity value that was over-estimated at low temperatures using the equation below. 158 | 159 | 160 |
161 | 162 |
163 | 164 | # 7. Summary 165 | 166 | 167 | * NEMD is a simple method to compute lattice thermal conductivity of nanomaterials 168 | * The thermal conductivity plugin, `calthermal_conductivity.py` helps with size-scaling and temperature-scaling calculations to obtain the material-intrinsic thermal conductivity at different temperatures 169 | * The thermal conductivity plugin, `caldos.py` helps include quantum-mechanical corrections to computed $\kappa$ to obtain experimentally-realistic values at low temperatures 170 | 171 | --- 172 | 173 | * Thermal conductivity simulations must be performed for a sufficiently long time (usually ~10s of ns) to ensure that a good steady state has been reached 174 | * We must ensure good sampling (i.e. number of independent initial conditions) in the VACF and VDOS calculation for smooth curves. 175 | 176 | # 8. Current research applications 177 | 178 | 179 | ## Thermal transport in fractal crystals 180 | 181 | * Fractals are infinitely complex patterns that are self-similar across different scales. They are created by repeating a simple process over and over in an ongoing feedback loop driven by recursion (See Ref. 12). 182 | 183 | 184 |
185 |

Image 7: The Sierpinski carpet is a model fractal system in two-dimensions

186 | 187 |
188 | 189 | * Here is a picture depicting the structure and heat flux in such a fractal system composed of MoSe2 and WSe2 materials. 190 | 191 |
192 |

Image 8: Atomic structure and heat-flux through a fractal two-dimensional material

193 | 194 |
195 | 196 | * Local heat flux . It is clear from the above figure that majority of the heat flux moves through the MoSe2 lattice and the interface acts as a source of phonon scattering. 197 | 198 | # 9. References 199 | 200 | --- 201 | 202 | 1. Cahill, D.G., et al., [Nanoscale thermal transport](http://aip.scitation.org/doi/10.1063/1.1524305). Journal of Applied Physics, 2003. 93(2): p. 793-818. 203 | 2. Cahill, D.G., et al., [Nanoscale thermal transport. II. 2003-2012](http://aip.scitation.org/doi/10.1063/1.4832615). Applied Physics Reviews, 2014. 1(1). 204 | 3. Payam, N. and J.S. David, [Thermal conductivity of single-layer WSe 2 by a Stillinger–Weber potential](http://iopscience.iop.org/article/10.1088/1361-6528/aa55e1/meta). Nanotechnology, 2017. 28(7): p. 075708. 205 | 4. Sahoo, S., et al., [Temperature-Dependent Raman Studies and Thermal Conductivity of Few-Layer MoS2](https://pubs.acs.org/doi/10.1021/jp402509w). Journal of Physical Chemistry C, 2013. 117(17): p. 9042-9047. 206 | 5. Yan, R.S., et al., [Thermal Conductivity of Monolayer Molybdenum Disulfide Obtained from Temperature-Dependent Raman Spectroscopy.](https://pubs.acs.org/doi/10.1021/nn405826k) ACS Nano, 2014. 8(1): p. 986-993. 207 | 6. Wu, X.F., et al., [How to characterize thermal transport capability of 2D materials fairly? - Sheet thermal conductance and the choice of thickness.](https://www.sciencedirect.com/science/article/pii/S0009261416310193) Chemical Physics Letters, 2017. 669: p. 233-237. 208 | 7. Klemens, P.G., [Thermal Conductivity and Lattice Vibrational Modes.](https://www.sciencedirect.com/science/article/pii/S0081194708605512) Solid State Physics, 1958. 7: p. 1-98. 209 | 8. Thermal Conductivity Wiki page: https://en.wikipedia.org/wiki/Thermal_conductivity 210 | 9. Fourier's Law: https://en.wikipedia.org/wiki/Thermal_conduction 211 | 10. Thermal Insulation in a Space Shuttle: https://www.nasa.gov/sites/default/files/atoms/files/shuttle_tiles_5_8v2.pdf 212 | 11. Space Shuttle thermal protection system: https://en.wikipedia.org/wiki/Space_Shuttle_thermal_protection_system 213 | 12. Sierpinski carpet: https://en.wikipedia.org/wiki/Sierpinski_carpet 214 | 13. HBG Casimir. [Note on the conduction of heat in crystals](https://www.sciencedirect.com/journal/physica/vol/5/issue/6) Physica, 5(6):495-500, 1938 215 | --- 216 | 217 |
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218 | -------------------------------------------------------------------------------- /Temperature.txt: -------------------------------------------------------------------------------- 1 | # Spatial-averaged data for fix 6b and group all 2 | # Timestep Number-of-bins 3 | # Bin Coord Ncount v_atemp 4 | 1000000 161 5 | 1 8.45849 664.214 301.594 6 | 2 28.4585 655.705 301.986 7 | 3 48.4585 649.065 302.539 8 | 4 68.4585 648.07 302.207 9 | 5 88.4585 650.307 303.282 10 | 6 108.458 660.986 303.869 11 | 7 128.458 668.278 304.105 12 | 8 148.458 661.331 304.076 13 | 9 168.458 652.56 303.684 14 | 10 188.458 648.486 304.481 15 | 11 208.458 648.507 304.873 16 | 12 228.458 652.933 305.06 17 | 13 248.458 664.739 305.268 18 | 14 268.458 668.604 306.106 19 | 15 288.458 656.952 306.049 20 | 16 308.458 650.037 306.48 21 | 17 328.458 648.254 306.208 22 | 18 348.458 649.48 306.902 23 | 19 368.458 656.667 307.419 24 | 20 388.458 667.458 307.922 25 | 21 408.458 665.86 307.448 26 | 22 428.458 653.543 307.886 27 | 23 448.458 648.81 308.49 28 | 24 468.458 648.25 308.306 29 | 25 488.458 650.54 308.869 30 | 26 508.458 660.077 309.274 31 | 27 528.458 667.605 310.159 32 | 28 548.458 663.689 310.491 33 | 29 568.458 651.399 310.697 34 | 30 588.458 648.463 310.654 35 | 31 608.458 648.707 311.33 36 | 32 628.458 653.221 312.004 37 | 33 648.458 662.958 312.193 38 | 34 668.458 667.144 312.729 39 | 35 688.458 659.395 314.225 40 | 36 708.458 650.307 315.3 41 | 37 728.458 648.412 315.814 42 | 38 748.458 649.616 317.339 43 | 39 768.458 656.81 319.559 44 | 40 788.458 663.958 323.69 45 | 41 808.458 665.174 329.026 46 | 42 828.458 656.658 322.032 47 | 43 848.458 649.537 318.953 48 | 44 868.458 648.39 317.784 49 | 45 888.458 651.466 316.199 50 | 46 908.458 659.219 315.159 51 | 47 928.458 664.248 315.008 52 | 48 948.458 663.682 313.855 53 | 49 968.458 653.968 312.752 54 | 50 988.458 649.162 312.162 55 | 51 1008.46 648.662 311.519 56 | 52 1028.46 652.843 311.142 57 | 53 1048.46 662.407 311.081 58 | 54 1068.46 665.544 311.175 59 | 55 1088.46 660.018 310.712 60 | 56 1108.46 651.98 309.764 61 | 57 1128.46 648.694 309.325 62 | 58 1148.46 649.531 308.796 63 | 59 1168.46 655.939 308.105 64 | 60 1188.46 664.424 307.762 65 | 61 1208.46 664.643 307.645 66 | 62 1228.46 657.06 307.741 67 | 63 1248.46 650.157 306.638 68 | 64 1268.46 648.311 307.082 69 | 65 1288.46 650.062 307.384 70 | 66 1308.46 659.126 306.613 71 | 67 1328.46 666.898 306.529 72 | 68 1348.46 662.73 306.672 73 | 69 1368.46 653.572 306.536 74 | 70 1388.46 649.376 305.478 75 | 71 1408.46 648.467 305.137 76 | 72 1428.46 652.3 304.746 77 | 73 1448.46 662.958 303.658 78 | 74 1468.46 667.003 303.49 79 | 75 1488.46 659.607 303.666 80 | 76 1508.46 651.442 302.893 81 | 77 1528.46 648.539 303.107 82 | 78 1548.46 649.365 303.22 83 | 79 1568.46 655.601 302.679 84 | 80 1588.46 665.488 302.192 85 | 81 1608.46 665.4 302.064 86 | 82 1628.46 655.991 300.875 87 | 83 1648.46 649.762 301.551 88 | 84 1668.46 648.423 301.032 89 | 85 1688.46 650.762 300.876 90 | 86 1708.46 658.965 300.55 91 | 87 1728.46 667.47 299.622 92 | 88 1748.46 662.672 300.443 93 | 89 1768.46 652.785 299.663 94 | 90 1788.46 648.967 299.678 95 | 91 1808.46 648.717 299.862 96 | 92 1828.46 652.905 299.501 97 | 93 1848.46 663.261 299.033 98 | 94 1868.46 668.553 297.969 99 | 95 1888.46 657.913 298.231 100 | 96 1908.46 650.255 298.498 101 | 97 1928.46 648.57 298.775 102 | 98 1948.46 649.681 298.985 103 | 99 1968.46 655.711 298.323 104 | 100 1988.46 667.048 298.367 105 | 101 2008.46 665.606 296.969 106 | 102 2028.46 654.099 296.437 107 | 103 2048.46 649.535 296.877 108 | 104 2068.46 648.455 296.977 109 | 105 2088.46 650.846 296.411 110 | 106 2108.46 658.416 295.457 111 | 107 2128.46 669.513 294.533 112 | 108 2148.46 661.836 294.342 113 | 109 2168.46 652.59 294.383 114 | 110 2188.46 648.64 294.758 115 | 111 2208.46 648.834 293.424 116 | 112 2228.46 653.947 292.724 117 | 113 2248.46 663.496 292.448 118 | 114 2268.46 667.05 291.52 119 | 115 2288.46 657.786 290.947 120 | 116 2308.46 650.528 290.261 121 | 117 2328.46 648.598 289.778 122 | 118 2348.46 650.348 289.189 123 | 119 2368.46 657.87 287.714 124 | 120 2388.46 664.786 283.928 125 | 121 2408.46 663.135 278.865 126 | 122 2428.46 655.892 285.199 127 | 123 2448.46 649.674 287.657 128 | 124 2468.46 648.508 289.102 129 | 125 2488.46 652.115 289.735 130 | 126 2508.46 661.094 290.918 131 | 127 2528.46 664.837 291.44 132 | 128 2548.46 660.945 293.21 133 | 129 2568.46 653.498 293.496 134 | 130 2588.46 649.28 294.147 135 | 131 2608.46 650.047 294.012 136 | 132 2628.46 654.82 293.909 137 | 133 2648.46 663.046 294.038 138 | 134 2668.46 663.225 294.713 139 | 135 2688.46 658.832 295.81 140 | 136 2708.46 651.317 295.906 141 | 137 2728.46 648.862 296.181 142 | 138 2748.46 651.463 296.898 143 | 139 2768.46 657.88 296.942 144 | 140 2788.46 664.622 297.622 145 | 141 2808.46 661.75 297.379 146 | 142 2828.46 655.299 297.262 147 | 143 2848.46 650.467 296.97 148 | 144 2868.46 648.813 298.104 149 | 145 2888.46 652.683 297.365 150 | 146 2908.46 660.832 297.832 151 | 147 2928.46 664.648 298.51 152 | 148 2948.46 660.941 299.172 153 | 149 2968.46 652.886 299.203 154 | 150 2988.46 649.277 300.431 155 | 151 3008.46 649.749 300.066 156 | 152 3028.46 655.006 300.705 157 | 153 3048.46 662.915 300.949 158 | 154 3068.46 665.335 300.782 159 | 155 3088.46 658.665 300.798 160 | 156 3108.46 650.303 301.153 161 | 157 3128.46 648.167 301.179 162 | 158 3148.46 650.075 301.326 163 | 159 3168.46 658.154 301.763 164 | 160 3188.46 666.352 301.172 165 | 161 3208.46 322.35 301.163 166 | 2000000 161 167 | 1 8.45849 664.148 303.302 168 | 2 28.4585 655.507 303.239 169 | 3 48.4585 649.956 303.28 170 | 4 68.4585 648.275 303.363 171 | 5 88.4585 650.597 303.879 172 | 6 108.458 659.977 303.388 173 | 7 128.458 667.078 303.341 174 | 8 148.458 662.83 303.909 175 | 9 168.458 652.355 304.478 176 | 10 188.458 648.913 304.966 177 | 11 208.458 648.296 304.931 178 | 12 228.458 651.805 304.846 179 | 13 248.458 664.568 305.431 180 | 14 268.458 667.899 305.706 181 | 15 288.458 659.106 305.865 182 | 16 308.458 650.314 306.594 183 | 17 328.458 648.078 306.418 184 | 18 348.458 648.394 307.461 185 | 19 368.458 655.306 307.232 186 | 20 388.458 667.257 307.766 187 | 21 408.458 666.976 307.653 188 | 22 428.458 655.328 308.448 189 | 23 448.458 648.734 308.316 190 | 24 468.458 648.033 308.722 191 | 25 488.458 649.494 309.011 192 | 26 508.458 658.766 309.673 193 | 27 528.458 668.166 310.185 194 | 28 548.458 664.33 310.341 195 | 29 568.458 652.998 310.985 196 | 30 588.458 648.246 311.565 197 | 31 608.458 648.701 312.261 198 | 32 628.458 652.627 312.637 199 | 33 648.458 663.232 313.499 200 | 34 668.458 667.242 314.406 201 | 35 688.458 659.42 315.46 202 | 36 708.458 650.619 315.824 203 | 37 728.458 648.224 316.54 204 | 38 748.458 649.479 317.483 205 | 39 768.458 656.676 319.285 206 | 40 788.458 664.54 323.681 207 | 41 808.458 664.81 328.604 208 | 42 828.458 656.458 322.157 209 | 43 848.458 649.875 319.131 210 | 44 868.458 648.295 317.408 211 | 45 888.458 651.825 316.233 212 | 46 908.458 659.958 315.614 213 | 47 928.458 664.925 313.889 214 | 48 948.458 661.116 313.079 215 | 49 968.458 654.224 312.609 216 | 50 988.458 649.734 311.892 217 | 51 1008.46 649.792 311.165 218 | 52 1028.46 654.7 310.935 219 | 53 1048.46 661.751 310.94 220 | 54 1068.46 663.474 310.694 221 | 55 1088.46 659.185 310.024 222 | 56 1108.46 652.399 309.465 223 | 57 1128.46 649.058 309.163 224 | 58 1148.46 651.429 308.546 225 | 59 1168.46 656.853 308.199 226 | 60 1188.46 662.331 308.313 227 | 61 1208.46 662.954 306.975 228 | 62 1228.46 657.175 307.287 229 | 63 1248.46 650.55 307.772 230 | 64 1268.46 649.356 307.358 231 | 65 1288.46 651.881 307.627 232 | 66 1308.46 659.442 307.572 233 | 67 1328.46 663.159 306.756 234 | 68 1348.46 662.345 306.582 235 | 69 1368.46 654.736 306.418 236 | 70 1388.46 649.303 306.398 237 | 71 1408.46 649.497 305.789 238 | 72 1428.46 654.666 305.447 239 | 73 1448.46 661.989 304.114 240 | 74 1468.46 663.536 304.306 241 | 75 1488.46 660.517 303.816 242 | 76 1508.46 651.531 303.578 243 | 77 1528.46 648.4 302.941 244 | 78 1548.46 649.812 302.478 245 | 79 1568.46 656.861 302.894 246 | 80 1588.46 664.246 302.403 247 | 81 1608.46 664.988 302.283 248 | 82 1628.46 656.311 301.7 249 | 83 1648.46 649.721 302.119 250 | 84 1668.46 648.21 301.594 251 | 85 1688.46 650.529 302.142 252 | 86 1708.46 659.001 301.509 253 | 87 1728.46 667.848 301.568 254 | 88 1748.46 662.685 301.408 255 | 89 1768.46 653.116 300.993 256 | 90 1788.46 648.646 300.577 257 | 91 1808.46 648.233 299.958 258 | 92 1828.46 652.928 299.853 259 | 93 1848.46 664.053 299.162 260 | 94 1868.46 667.91 299.178 261 | 95 1888.46 658.847 299.45 262 | 96 1908.46 649.934 298.755 263 | 97 1928.46 648.116 298.369 264 | 98 1948.46 648.79 298.175 265 | 99 1968.46 655.98 297.585 266 | 100 1988.46 668.242 296.859 267 | 101 2008.46 666.475 296.183 268 | 102 2028.46 653.988 296.239 269 | 103 2048.46 648.508 296.049 270 | 104 2068.46 648.055 296.302 271 | 105 2088.46 650.295 296.532 272 | 106 2108.46 658.351 296.126 273 | 107 2128.46 669.469 296.089 274 | 108 2148.46 664.237 294.822 275 | 109 2168.46 651.241 294.194 276 | 110 2188.46 648.357 293.687 277 | 111 2208.46 648.422 292.795 278 | 112 2228.46 653.249 292.339 279 | 113 2248.46 663.522 290.862 280 | 114 2268.46 667.67 290.82 281 | 115 2288.46 658.821 290.492 282 | 116 2308.46 650.058 289.519 283 | 117 2328.46 648.324 288.453 284 | 118 2348.46 649.797 287.203 285 | 119 2368.46 658.001 285.359 286 | 120 2388.46 665.2 282.738 287 | 121 2408.46 663.652 277.711 288 | 122 2428.46 655.719 283.563 289 | 123 2448.46 649.485 286.557 290 | 124 2468.46 648.405 288.696 291 | 125 2488.46 652.362 288.936 292 | 126 2508.46 660.824 290.215 293 | 127 2528.46 665.257 290.92 294 | 128 2548.46 660.778 291.427 295 | 129 2568.46 653.458 292.594 296 | 130 2588.46 649.086 292.752 297 | 131 2608.46 649.485 293.315 298 | 132 2628.46 655.859 293.811 299 | 133 2648.46 663.786 293.818 300 | 134 2668.46 662.524 294.802 301 | 135 2688.46 657.865 295.526 302 | 136 2708.46 651.526 295.397 303 | 137 2728.46 649.361 296.226 304 | 138 2748.46 651.079 296.15 305 | 139 2768.46 658.875 296.189 306 | 140 2788.46 663.43 296.804 307 | 141 2808.46 661.764 297.245 308 | 142 2828.46 655.783 297.77 309 | 143 2848.46 650.045 297.981 310 | 144 2868.46 649.18 298.159 311 | 145 2888.46 653.115 297.729 312 | 146 2908.46 661.244 298.26 313 | 147 2928.46 663.181 298.346 314 | 148 2948.46 660.605 298.396 315 | 149 2968.46 653.692 299.106 316 | 150 2988.46 649.335 298.96 317 | 151 3008.46 649.492 299.386 318 | 152 3028.46 656.018 300.57 319 | 153 3048.46 663.094 299.816 320 | 154 3068.46 662.923 300.13 321 | 155 3088.46 658.858 300.831 322 | 156 3108.46 651.337 301.024 323 | 157 3128.46 648.719 301.241 324 | 158 3148.46 650.492 302.068 325 | 159 3168.46 658.453 302.33 326 | 160 3188.46 664.848 303.154 327 | 161 3208.46 322.248 303.402 328 | 3000000 161 329 | 1 8.45849 666.651 302.554 330 | 2 28.4585 657.3 302.437 331 | 3 48.4585 649.869 303.124 332 | 4 68.4585 648.253 303.12 333 | 5 88.4585 649.998 303.284 334 | 6 108.458 658.447 303.503 335 | 7 128.458 666.479 303.769 336 | 8 148.458 663.751 304.236 337 | 9 168.458 653.964 304.695 338 | 10 188.458 649.202 305.193 339 | 11 208.458 648.33 304.768 340 | 12 228.458 652.949 304.934 341 | 13 248.458 662.871 305.088 342 | 14 268.458 667.263 305.214 343 | 15 288.458 658.561 305.666 344 | 16 308.458 651.533 306.723 345 | 17 328.458 648.559 306.483 346 | 18 348.458 649.063 306.915 347 | 19 368.458 656.212 307.192 348 | 20 388.458 667.05 307.388 349 | 21 408.458 664.62 307.156 350 | 22 428.458 654.796 307.585 351 | 23 448.458 650.069 308.835 352 | 24 468.458 648.361 308.922 353 | 25 488.458 650.605 309.183 354 | 26 508.458 658.954 309.673 355 | 27 528.458 668.175 310.545 356 | 28 548.458 662.02 310.54 357 | 29 568.458 653.124 310.256 358 | 30 588.458 648.94 310.46 359 | 31 608.458 648.829 311.277 360 | 32 628.458 653.87 311.898 361 | 33 648.458 663.546 312.437 362 | 34 668.458 665.716 313.93 363 | 35 688.458 658.437 314.456 364 | 36 708.458 651.304 314.737 365 | 37 728.458 648.458 316.081 366 | 38 748.458 650.815 317.28 367 | 39 768.458 657.249 319.342 368 | 40 788.458 664.577 323.822 369 | 41 808.458 663.18 330.056 370 | 42 828.458 656.072 322.51 371 | 43 848.458 649.91 319.691 372 | 44 868.458 648.47 317.989 373 | 45 888.458 651.99 316.893 374 | 46 908.458 659.858 316.132 375 | 47 928.458 666.391 314.7 376 | 48 948.458 660.805 314.077 377 | 49 968.458 653.434 312.778 378 | 50 988.458 649.106 312.071 379 | 51 1008.46 649.208 312.112 380 | 52 1028.46 654.803 311.499 381 | 53 1048.46 663.423 310.331 382 | 54 1068.46 664.302 310.496 383 | 55 1088.46 658.283 309.381 384 | 56 1108.46 651.64 309.483 385 | 57 1128.46 648.46 309.086 386 | 58 1148.46 650.499 308.722 387 | 59 1168.46 657.211 309.123 388 | 60 1188.46 664.34 308.716 389 | 61 1208.46 664.357 308.06 390 | 62 1228.46 655.667 307.679 391 | 63 1248.46 649.764 307.706 392 | 64 1268.46 648.483 307.047 393 | 65 1288.46 651.815 306.88 394 | 66 1308.46 659.21 306.876 395 | 67 1328.46 666.344 306.055 396 | 68 1348.46 662.475 305.989 397 | 69 1368.46 652.922 305.94 398 | 70 1388.46 648.784 305.641 399 | 71 1408.46 649.064 304.929 400 | 72 1428.46 654.833 304.933 401 | 73 1448.46 661.838 303.363 402 | 74 1468.46 666.226 303.275 403 | 75 1488.46 659.287 302.699 404 | 76 1508.46 650.639 302.572 405 | 77 1528.46 648.212 302.729 406 | 78 1548.46 650.329 302 407 | 79 1568.46 657.873 301.773 408 | 80 1588.46 664.207 301.949 409 | 81 1608.46 665.146 301.599 410 | 82 1628.46 655.377 301.396 411 | 83 1648.46 648.942 301.745 412 | 84 1668.46 648.203 301.62 413 | 85 1688.46 651.707 300.565 414 | 86 1708.46 661.187 300.996 415 | 87 1728.46 665.675 300.524 416 | 88 1748.46 662.391 300.248 417 | 89 1768.46 652.288 300.462 418 | 90 1788.46 648.571 300.014 419 | 91 1808.46 648.507 299.566 420 | 92 1828.46 654.469 298.923 421 | 93 1848.46 664.865 298.56 422 | 94 1868.46 665.413 299.084 423 | 95 1888.46 657.641 298.209 424 | 96 1908.46 650.792 298.137 425 | 97 1928.46 648.341 297.884 426 | 98 1948.46 649.688 297.887 427 | 99 1968.46 657.316 298.112 428 | 100 1988.46 667.414 297.402 429 | 101 2008.46 664.204 297.201 430 | 102 2028.46 654.388 296.864 431 | 103 2048.46 648.937 296.469 432 | 104 2068.46 648.263 295.457 433 | 105 2088.46 651.194 295.613 434 | 106 2108.46 660.076 295.46 435 | 107 2128.46 668.573 294.581 436 | 108 2148.46 661.781 294.001 437 | 109 2168.46 651.539 293.524 438 | 110 2188.46 648.584 293.357 439 | 111 2208.46 648.723 293.054 440 | 112 2228.46 653.909 291.997 441 | 113 2248.46 664.315 291.957 442 | 114 2268.46 666.853 292.156 443 | 115 2288.46 657.676 291.489 444 | 116 2308.46 650.271 290.351 445 | 117 2328.46 648.486 289.739 446 | 118 2348.46 649.995 287.778 447 | 119 2368.46 656.53 286.161 448 | 120 2388.46 667.297 282.798 449 | 121 2408.46 663.419 277.609 450 | 122 2428.46 654.675 284.152 451 | 123 2448.46 649.751 285.845 452 | 124 2468.46 648.81 287.877 453 | 125 2488.46 650.67 288.612 454 | 126 2508.46 659.388 290.13 455 | 127 2528.46 668.709 290.989 456 | 128 2548.46 660.88 291.737 457 | 129 2568.46 652.454 292.158 458 | 130 2588.46 649.231 292.457 459 | 131 2608.46 649.15 293.141 460 | 132 2628.46 653.344 292.953 461 | 133 2648.46 661.526 293.88 462 | 134 2668.46 667.356 294.525 463 | 135 2688.46 658.475 295.877 464 | 136 2708.46 651.399 295.865 465 | 137 2728.46 649.025 296.853 466 | 138 2748.46 650.136 297.478 467 | 139 2768.46 655.782 297.925 468 | 140 2788.46 664.244 298.211 469 | 141 2808.46 665.124 298.261 470 | 142 2828.46 656.11 298.237 471 | 143 2848.46 650.106 298.846 472 | 144 2868.46 648.601 298.973 473 | 145 2888.46 651.067 298.867 474 | 146 2908.46 658.519 299.456 475 | 147 2928.46 666.605 299.131 476 | 148 2948.46 662.202 299.363 477 | 149 2968.46 654.091 300.035 478 | 150 2988.46 649.197 300.584 479 | 151 3008.46 648.775 300.834 480 | 152 3028.46 652.377 300.841 481 | 153 3048.46 662.055 300.906 482 | 154 3068.46 667.231 301.404 483 | 155 3088.46 659.599 301.968 484 | 156 3108.46 651.564 301.962 485 | 157 3128.46 648.423 302.421 486 | 158 3148.46 649.673 302.923 487 | 159 3168.46 655.338 302.66 488 | 160 3188.46 664.774 302.724 489 | 161 3208.46 322.137 302.216 490 | 4000000 161 491 | 1 8.45849 667.941 302.161 492 | 2 28.4585 654.737 302.403 493 | 3 48.4585 648.576 302.782 494 | 4 68.4585 648.109 302.695 495 | 5 88.4585 649.552 302.879 496 | 6 108.458 657.094 303.473 497 | 7 128.458 672.055 305.141 498 | 8 148.458 664.003 304.881 499 | 9 168.458 651.021 304.665 500 | 10 188.458 648.175 305.062 501 | 11 208.458 648.142 304.776 502 | 12 228.458 651.016 304.679 503 | 13 248.458 663.495 305.525 504 | 14 268.458 671.414 305.764 505 | 15 288.458 658.578 305.612 506 | 16 308.458 649.304 305.943 507 | 17 328.458 648.06 306.062 508 | 18 348.458 648.74 306.034 509 | 19 368.458 654.869 305.732 510 | 20 388.458 667.253 306.658 511 | 21 408.458 666.75 307.722 512 | 22 428.458 655.33 307.145 513 | 23 448.458 649.023 307.976 514 | 24 468.458 648.202 308.763 515 | 25 488.458 650.209 309.563 516 | 26 508.458 658.155 310.039 517 | 27 528.458 668.187 310.839 518 | 28 548.458 663.516 310.463 519 | 29 568.458 653.066 310.952 520 | 30 588.458 648.729 311.741 521 | 31 608.458 648.83 312.481 522 | 32 628.458 652.565 313.187 523 | 33 648.458 661.82 313.709 524 | 34 668.458 667.539 314.281 525 | 35 688.458 660.496 314.619 526 | 36 708.458 650.563 315.149 527 | 37 728.458 648.33 315.699 528 | 38 748.458 649.821 317.756 529 | 39 768.458 655.312 318.823 530 | 40 788.458 664.802 322.678 531 | 41 808.458 664.395 328.064 532 | 42 828.458 657.804 321.098 533 | 43 848.458 649.661 317.929 534 | 44 868.458 648.192 316.463 535 | 45 888.458 650.788 315.595 536 | 46 908.458 658.773 314.81 537 | 47 928.458 667.306 314.009 538 | 48 948.458 662.706 313.04 539 | 49 968.458 653.373 312.46 540 | 50 988.458 648.837 312.392 541 | 51 1008.46 648.493 311.779 542 | 52 1028.46 653.11 311.458 543 | 53 1048.46 663.801 310.739 544 | 54 1068.46 667.132 309.905 545 | 55 1088.46 658.297 309.254 546 | 56 1108.46 650.808 308.304 547 | 57 1128.46 648.46 307.319 548 | 58 1148.46 649.585 308.044 549 | 59 1168.46 657.07 309.049 550 | 60 1188.46 665.582 307.636 551 | 61 1208.46 664.219 306.961 552 | 62 1228.46 655.703 306.517 553 | 63 1248.46 649.6 306.303 554 | 64 1268.46 648.299 305.79 555 | 65 1288.46 651.132 306.792 556 | 66 1308.46 659.624 306.635 557 | 67 1328.46 666.378 305.673 558 | 68 1348.46 662.978 305.164 559 | 69 1368.46 653.131 305.539 560 | 70 1388.46 648.673 305.431 561 | 71 1408.46 648.929 305.068 562 | 72 1428.46 653.942 303.84 563 | 73 1448.46 662.928 304.194 564 | 74 1468.46 666.225 304.037 565 | 75 1488.46 659.272 303.648 566 | 76 1508.46 650.589 303.171 567 | 77 1528.46 648.262 302.307 568 | 78 1548.46 649.637 302.86 569 | 79 1568.46 656.781 303.201 570 | 80 1588.46 666.794 303.536 571 | 81 1608.46 665.874 302.701 572 | 82 1628.46 654.231 302.742 573 | 83 1648.46 648.506 301.858 574 | 84 1668.46 648.081 301.603 575 | 85 1688.46 650.143 300.897 576 | 86 1708.46 660.098 300.962 577 | 87 1728.46 671.264 301.342 578 | 88 1748.46 661.993 301.132 579 | 89 1768.46 650.332 300.63 580 | 90 1788.46 648.095 300.27 581 | 91 1808.46 648.296 300.174 582 | 92 1828.46 651.965 300.168 583 | 93 1848.46 665.585 299.669 584 | 94 1868.46 670.41 299.395 585 | 95 1888.46 656.405 299.211 586 | 96 1908.46 649.274 298.349 587 | 97 1928.46 648.079 298.033 588 | 98 1948.46 648.997 297.88 589 | 99 1968.46 656.218 297.953 590 | 100 1988.46 668.789 297.794 591 | 101 2008.46 665.258 297.636 592 | 102 2028.46 653.817 296.659 593 | 103 2048.46 648.889 297.068 594 | 104 2068.46 648.093 297.235 595 | 105 2088.46 650.772 296.922 596 | 106 2108.46 660.737 296.544 597 | 107 2128.46 667.975 295.864 598 | 108 2148.46 660.95 295.082 599 | 109 2168.46 653.155 294.902 600 | 110 2188.46 648.336 294.236 601 | 111 2208.46 648.561 293.871 602 | 112 2228.46 654.005 293.918 603 | 113 2248.46 663.985 292.953 604 | 114 2268.46 666.833 292.178 605 | 115 2288.46 657.628 290.924 606 | 116 2308.46 650.881 290.669 607 | 117 2328.46 648.33 290.483 608 | 118 2348.46 649.87 288.931 609 | 119 2368.46 656.017 286.409 610 | 120 2388.46 665.383 283.584 611 | 121 2408.46 664.966 278.97 612 | 122 2428.46 655.944 285.138 613 | 123 2448.46 649.569 287.953 614 | 124 2468.46 648.312 289.1 615 | 125 2488.46 650.387 289.988 616 | 126 2508.46 659.355 290.913 617 | 127 2528.46 667.884 291.799 618 | 128 2548.46 662.511 292.296 619 | 129 2568.46 653.229 292.663 620 | 130 2588.46 648.353 292.564 621 | 131 2608.46 648.573 293.613 622 | 132 2628.46 652.634 293.959 623 | 133 2648.46 664.295 294.316 624 | 134 2668.46 667.263 294.633 625 | 135 2688.46 658.854 294.634 626 | 136 2708.46 650.233 295.09 627 | 137 2728.46 648.162 296.259 628 | 138 2748.46 649.009 296.512 629 | 139 2768.46 657.157 296.488 630 | 140 2788.46 666.558 297.11 631 | 141 2808.46 664.656 297.068 632 | 142 2828.46 655.584 297.598 633 | 143 2848.46 648.975 298.227 634 | 144 2868.46 648.129 298.96 635 | 145 2888.46 650.414 298.767 636 | 146 2908.46 660.637 299.06 637 | 147 2928.46 667.157 299.006 638 | 148 2948.46 662.608 299.147 639 | 149 2968.46 652.668 299.184 640 | 150 2988.46 648.499 299.472 641 | 151 3008.46 648.817 299.159 642 | 152 3028.46 652.919 299.522 643 | 153 3048.46 664.132 299.966 644 | 154 3068.46 668.047 300.333 645 | 155 3088.46 657.944 300.362 646 | 156 3108.46 649.963 301.272 647 | 157 3128.46 648.261 301.344 648 | 158 3148.46 649.731 301.464 649 | 159 3168.46 655.654 302.256 650 | 160 3188.46 667.516 302.422 651 | 161 3208.46 321.683 302.637 652 | 5000000 161 653 | 1 8.45849 666.103 303.161 654 | 2 28.4585 653.575 303.056 655 | 3 48.4585 649.059 302.956 656 | 4 68.4585 648.127 304.449 657 | 5 88.4585 649.909 304.692 658 | 6 108.458 659.493 304.56 659 | 7 128.458 671.466 304.804 660 | 8 148.458 661.672 305.581 661 | 9 168.458 651.137 305.267 662 | 10 188.458 648.264 305.361 663 | 11 208.458 648.227 305.453 664 | 12 228.458 651.79 305.347 665 | 13 248.458 664.397 305.879 666 | 14 268.458 672.038 306.282 667 | 15 288.458 656.667 307.018 668 | 16 308.458 648.877 307.159 669 | 17 328.458 648.11 307.282 670 | 18 348.458 649.413 307.692 671 | 19 368.458 655.506 307.408 672 | 20 388.458 667.583 308.026 673 | 21 408.458 668.363 307.918 674 | 22 428.458 652.887 308.314 675 | 23 448.458 648.145 308.724 676 | 24 468.458 648.252 309.291 677 | 25 488.458 650.729 309.076 678 | 26 508.458 658.931 309.825 679 | 27 528.458 670.674 310.251 680 | 28 548.458 662.749 310.708 681 | 29 568.458 650.471 311.207 682 | 30 588.458 648.193 311.843 683 | 31 608.458 648.388 312.093 684 | 32 628.458 653.195 312.577 685 | 33 648.458 665.88 312.728 686 | 34 668.458 669.201 313.838 687 | 35 688.458 655.862 315.014 688 | 36 708.458 649.394 315.921 689 | 37 728.458 648.084 317.377 690 | 38 748.458 648.707 318.659 691 | 39 768.458 657.19 319.59 692 | 40 788.458 670.104 324.18 693 | 41 808.458 664.156 329.211 694 | 42 828.458 652.986 321.644 695 | 43 848.458 648.801 318.418 696 | 44 868.458 648.087 316.139 697 | 45 888.458 649.664 315.376 698 | 46 908.458 661.704 314.221 699 | 47 928.458 669.786 313.656 700 | 48 948.458 660.861 313.125 701 | 49 968.458 651.707 312.238 702 | 50 988.458 648.282 312.18 703 | 51 1008.46 648.207 311.444 704 | 52 1028.46 651.087 310.413 705 | 53 1048.46 666.22 310.11 706 | 54 1068.46 668.298 310.512 707 | 55 1088.46 658.203 309.398 708 | 56 1108.46 649.907 309.181 709 | 57 1128.46 648.118 309.224 710 | 58 1148.46 649.07 308.856 711 | 59 1168.46 654.844 308.488 712 | 60 1188.46 668.083 308.81 713 | 61 1208.46 666.758 307.731 714 | 62 1228.46 654.387 307.857 715 | 63 1248.46 648.762 307.806 716 | 64 1268.46 648.207 307.616 717 | 65 1288.46 650.127 306.981 718 | 66 1308.46 657.949 307.33 719 | 67 1328.46 668.87 306.316 720 | 68 1348.46 664.436 305.683 721 | 69 1368.46 652.008 305.322 722 | 70 1388.46 648.411 305.045 723 | 71 1408.46 648.397 304.368 724 | 72 1428.46 652.088 304.972 725 | 73 1448.46 662.25 304.728 726 | 74 1468.46 668.106 303.735 727 | 75 1488.46 660.496 303.303 728 | 76 1508.46 650.47 303.103 729 | 77 1528.46 648.225 303.172 730 | 78 1548.46 648.617 302.93 731 | 79 1568.46 653.876 303.352 732 | 80 1588.46 667.643 303.357 733 | 81 1608.46 667.469 302.596 734 | 82 1628.46 655.166 302.063 735 | 83 1648.46 649.131 301.792 736 | 84 1668.46 648.108 301.261 737 | 85 1688.46 649.017 301.218 738 | 86 1708.46 656.59 301.037 739 | 87 1728.46 670.931 300.814 740 | 88 1748.46 664.797 299.99 741 | 89 1768.46 652.114 299.616 742 | 90 1788.46 648.496 299.564 743 | 91 1808.46 648.043 299.158 744 | 92 1828.46 649.933 298.354 745 | 93 1848.46 663.309 298.903 746 | 94 1868.46 671.349 297.957 747 | 95 1888.46 658.664 297.664 748 | 96 1908.46 650.573 297.711 749 | 97 1928.46 648.185 296.847 750 | 98 1948.46 648.668 296.391 751 | 99 1968.46 653.238 296.094 752 | 100 1988.46 668.198 296.832 753 | 101 2008.46 667.612 295.553 754 | 102 2028.46 654.703 295.337 755 | 103 2048.46 649.455 295.127 756 | 104 2068.46 648.193 295.173 757 | 105 2088.46 649.858 295.034 758 | 106 2108.46 656.474 295.125 759 | 107 2128.46 670.105 294.774 760 | 108 2148.46 664.55 295.206 761 | 109 2168.46 652.476 294.484 762 | 110 2188.46 648.434 293.902 763 | 111 2208.46 648.573 293.3 764 | 112 2228.46 652.351 292.664 765 | 113 2248.46 662.228 292.503 766 | 114 2268.46 668.539 291.711 767 | 115 2288.46 660.731 291.193 768 | 116 2308.46 649.557 289.829 769 | 117 2328.46 648.098 289.78 770 | 118 2348.46 649.452 288.304 771 | 119 2368.46 655.062 286.341 772 | 120 2388.46 665.689 282.274 773 | 121 2408.46 667.491 277.575 774 | 122 2428.46 655.536 284.183 775 | 123 2448.46 648.691 286.602 776 | 124 2468.46 648.131 288.233 777 | 125 2488.46 650.171 289.543 778 | 126 2508.46 658.231 290.064 779 | 127 2528.46 670.165 291.043 780 | 128 2548.46 663.649 291.506 781 | 129 2568.46 651.337 292.067 782 | 130 2588.46 648.414 293.249 783 | 131 2608.46 648.447 294.371 784 | 132 2628.46 652.455 294.262 785 | 133 2648.46 665.118 294.15 786 | 134 2668.46 669.488 295.025 787 | 135 2688.46 656.731 295.713 788 | 136 2708.46 649.623 296.161 789 | 137 2728.46 648.065 296.471 790 | 138 2748.46 648.942 296.818 791 | 139 2768.46 656.731 297.48 792 | 140 2788.46 668.801 298.575 793 | 141 2808.46 665.015 298.031 794 | 142 2828.46 653.339 298.049 795 | 143 2848.46 649.103 298.559 796 | 144 2868.46 648.077 299.057 797 | 145 2888.46 650.156 298.932 798 | 146 2908.46 659.935 298.476 799 | 147 2928.46 669.955 298.45 800 | 148 2948.46 661.489 298.908 801 | 149 2968.46 651.479 299.495 802 | 150 2988.46 648.931 298.897 803 | 151 3008.46 648.55 299.555 804 | 152 3028.46 652.67 300.095 805 | 153 3048.46 665.366 300.836 806 | 154 3068.46 668.24 300.875 807 | 155 3088.46 656.651 300.812 808 | 156 3108.46 650.247 300.625 809 | 157 3128.46 648.361 300.637 810 | 158 3148.46 649.171 300.627 811 | 159 3168.46 656.901 301.821 812 | 160 3188.46 669.535 302.53 813 | 161 3208.46 321.53 303.703 814 | 6000000 161 815 | 1 8.45849 664.562 302.206 816 | 2 28.4585 655.271 302.586 817 | 3 48.4585 648.941 302.681 818 | 4 68.4585 648.095 303.755 819 | 5 88.4585 650.257 303.626 820 | 6 108.458 659.375 304.13 821 | 7 128.458 669.444 305.231 822 | 8 148.458 661.939 305.265 823 | 9 168.458 652.631 306.033 824 | 10 188.458 648.265 305.087 825 | 11 208.458 648.213 305.388 826 | 12 228.458 651.989 306.341 827 | 13 248.458 663.785 306.036 828 | 14 268.458 670.513 306.624 829 | 15 288.458 657.714 305.392 830 | 16 308.458 649.72 305.767 831 | 17 328.458 648.125 306.141 832 | 18 348.458 648.903 306.912 833 | 19 368.458 654.714 307.316 834 | 20 388.458 668.391 307.172 835 | 21 408.458 667.157 307.87 836 | 22 428.458 654.08 308.697 837 | 23 448.458 648.675 309.333 838 | 24 468.458 648.083 309.28 839 | 25 488.458 650.085 309.615 840 | 26 508.458 658.782 309.924 841 | 27 528.458 669.76 310.118 842 | 28 548.458 663.268 309.76 843 | 29 568.458 651.689 310.97 844 | 30 588.458 648.404 310.776 845 | 31 608.458 648.481 312.385 846 | 32 628.458 651.486 313.026 847 | 33 648.458 663.637 312.807 848 | 34 668.458 670.302 313.338 849 | 35 688.458 658.409 314.136 850 | 36 708.458 649.415 314.612 851 | 37 728.458 648.401 316.094 852 | 38 748.458 648.756 316.903 853 | 39 768.458 653.711 319.16 854 | 40 788.458 667.482 322.865 855 | 41 808.458 668.116 327.58 856 | 42 828.458 654.846 320.826 857 | 43 848.458 648.848 317.935 858 | 44 868.458 648.276 315.682 859 | 45 888.458 649.377 314.973 860 | 46 908.458 657.67 313.519 861 | 47 928.458 670.785 312.784 862 | 48 948.458 664.225 312.785 863 | 49 968.458 651.559 312.389 864 | 50 988.458 648.201 312.071 865 | 51 1008.46 648.666 311.858 866 | 52 1028.46 652.156 310.829 867 | 53 1048.46 662.646 310.876 868 | 54 1068.46 670.005 309.958 869 | 55 1088.46 659.119 309.664 870 | 56 1108.46 649.346 309.659 871 | 57 1128.46 648.045 308.879 872 | 58 1148.46 648.835 307.614 873 | 59 1168.46 655.271 307.844 874 | 60 1188.46 666.166 307.626 875 | 61 1208.46 668.429 307.488 876 | 62 1228.46 654.554 307.267 877 | 63 1248.46 648.714 307.705 878 | 64 1268.46 648.049 307.406 879 | 65 1288.46 649.933 305.89 880 | 66 1308.46 657.966 305.88 881 | 67 1328.46 668.565 305.692 882 | 68 1348.46 664.215 305.518 883 | 69 1368.46 652.786 305.245 884 | 70 1388.46 648.518 304.151 885 | 71 1408.46 648.784 303.864 886 | 72 1428.46 652.134 304.158 887 | 73 1448.46 662.074 304.227 888 | 74 1468.46 669.82 304.232 889 | 75 1488.46 659.022 304.515 890 | 76 1508.46 650.082 303.299 891 | 77 1528.46 648.1 302.834 892 | 78 1548.46 649.453 302.961 893 | 79 1568.46 655.17 303.004 894 | 80 1588.46 667.761 302.87 895 | 81 1608.46 666.949 302.09 896 | 82 1628.46 653.732 302.504 897 | 83 1648.46 648.868 302.283 898 | 84 1668.46 648.17 301.886 899 | 85 1688.46 650.302 301.631 900 | 86 1708.46 658.247 300.482 901 | 87 1728.46 670.767 300.577 902 | 88 1748.46 662.966 300.129 903 | 89 1768.46 651.09 300.203 904 | 90 1788.46 648.436 299.702 905 | 91 1808.46 648.395 299.95 906 | 92 1828.46 651.588 299.606 907 | 93 1848.46 664.189 299.873 908 | 94 1868.46 670 299.179 909 | 95 1888.46 658.03 298.09 910 | 96 1908.46 649.421 298.298 911 | 97 1928.46 648.388 298.162 912 | 98 1948.46 648.929 298.047 913 | 99 1968.46 655.248 298.109 914 | 100 1988.46 667.506 297.208 915 | 101 2008.46 666.738 297.091 916 | 102 2028.46 654.797 296.521 917 | 103 2048.46 648.82 296.259 918 | 104 2068.46 648.04 295.677 919 | 105 2088.46 649.758 295.264 920 | 106 2108.46 659.441 295.584 921 | 107 2128.46 669.565 294.821 922 | 108 2148.46 663.566 294.792 923 | 109 2168.46 651.452 294.044 924 | 110 2188.46 648.184 293.904 925 | 111 2208.46 648.134 293.68 926 | 112 2228.46 652.1 292.733 927 | 113 2248.46 665.39 291.924 928 | 114 2268.46 669.714 291.934 929 | 115 2288.46 657.936 291.841 930 | 116 2308.46 648.722 290.697 931 | 117 2328.46 648.006 290.015 932 | 118 2348.46 648.489 288.407 933 | 119 2368.46 654.487 287.09 934 | 120 2388.46 669.771 283.34 935 | 121 2408.46 667.019 278.814 936 | 122 2428.46 653.644 284.965 937 | 123 2448.46 648.581 286.566 938 | 124 2468.46 648.015 288.946 939 | 125 2488.46 649.208 290.7 940 | 126 2508.46 659.737 291.154 941 | 127 2528.46 671.77 291.522 942 | 128 2548.46 661.028 292.065 943 | 129 2568.46 651.783 292.514 944 | 130 2588.46 648.535 293.193 945 | 131 2608.46 648.388 293.484 946 | 132 2628.46 652.118 294.339 947 | 133 2648.46 666.949 294.983 948 | 134 2668.46 668.204 296.1 949 | 135 2688.46 656.57 296.379 950 | 136 2708.46 649.557 295.793 951 | 137 2728.46 648.155 296.889 952 | 138 2748.46 648.79 296.752 953 | 139 2768.46 656.125 296.916 954 | 140 2788.46 669.873 297.349 955 | 141 2808.46 664.386 297.487 956 | 142 2828.46 653.863 297.763 957 | 143 2848.46 648.923 298.701 958 | 144 2868.46 648.192 298.621 959 | 145 2888.46 650.282 299.312 960 | 146 2908.46 660.163 300.034 961 | 147 2928.46 668.006 300.021 962 | 148 2948.46 662.577 300.303 963 | 149 2968.46 652.36 299.995 964 | 150 2988.46 648.478 299.584 965 | 151 3008.46 648.838 299.74 966 | 152 3028.46 653.789 300.355 967 | 153 3048.46 663.609 299.516 968 | 154 3068.46 666.735 299.975 969 | 155 3088.46 658.4 300.921 970 | 156 3108.46 650.54 300.997 971 | 157 3128.46 648.107 301.329 972 | 158 3148.46 649.742 301.427 973 | 159 3168.46 657.803 301.34 974 | 160 3188.46 667.992 301.443 975 | 161 3208.46 321.637 301.531 976 | 7000000 161 977 | 1 8.45849 665.92 302.982 978 | 2 28.4585 656.099 303.397 979 | 3 48.4585 649.332 303.133 980 | 4 68.4585 648.107 304.03 981 | 5 88.4585 648.884 304.418 982 | 6 108.458 658.528 304.382 983 | 7 128.458 668.555 304.263 984 | 8 148.458 663.633 304.963 985 | 9 168.458 653.792 305.123 986 | 10 188.458 648.595 304.066 987 | 11 208.458 648.125 305.064 988 | 12 228.458 651.29 305.488 989 | 13 248.458 662.201 305.827 990 | 14 268.458 668.248 306.588 991 | 15 288.458 661.281 307.555 992 | 16 308.458 650.554 306.92 993 | 17 328.458 648.33 307.473 994 | 18 348.458 648.69 307.592 995 | 19 368.458 654.737 309.031 996 | 20 388.458 664.851 308.396 997 | 21 408.458 667.811 308.138 998 | 22 428.458 656.638 307.765 999 | 23 448.458 649.205 308.175 1000 | 24 468.458 648.114 308.65 1001 | 25 488.458 649.684 309.52 1002 | 26 508.458 658.26 309.637 1003 | 27 528.458 667.216 310.376 1004 | 28 548.458 664.994 310.453 1005 | 29 568.458 653.243 311.052 1006 | 30 588.458 648.528 311.458 1007 | 31 608.458 648.29 312.489 1008 | 32 628.458 651.838 312.807 1009 | 33 648.458 663.345 313.081 1010 | 34 668.458 669.836 313.644 1011 | 35 688.458 659.205 314.255 1012 | 36 708.458 649.468 315.282 1013 | 37 728.458 648.039 315.803 1014 | 38 748.458 648.595 317.736 1015 | 39 768.458 654.745 320.706 1016 | 40 788.458 667.732 324.058 1017 | 41 808.458 666.915 328.079 1018 | 42 828.458 655.197 320.812 1019 | 43 848.458 648.781 317.944 1020 | 44 868.458 648.135 317.425 1021 | 45 888.458 649.673 316.716 1022 | 46 908.458 658.191 315.104 1023 | 47 928.458 670.125 314.069 1024 | 48 948.458 663.721 313.665 1025 | 49 968.458 651.719 313.756 1026 | 50 988.458 648.398 312.939 1027 | 51 1008.46 648.518 312.194 1028 | 52 1028.46 652.308 311.542 1029 | 53 1048.46 664.485 311.02 1030 | 54 1068.46 670.067 310.831 1031 | 55 1088.46 657.201 310.044 1032 | 56 1108.46 649.419 309.762 1033 | 57 1128.46 648.065 308.758 1034 | 58 1148.46 648.98 309.377 1035 | 59 1168.46 656.142 309.397 1036 | 60 1188.46 668.462 308.389 1037 | 61 1208.46 666.27 308.171 1038 | 62 1228.46 653.418 307.409 1039 | 63 1248.46 648.712 307.779 1040 | 64 1268.46 648.067 306.769 1041 | 65 1288.46 649.789 305.59 1042 | 66 1308.46 659.821 305.322 1043 | 67 1328.46 670.4 305.985 1044 | 68 1348.46 661.701 305.183 1045 | 69 1368.46 651.857 304.507 1046 | 70 1388.46 648.381 304.647 1047 | 71 1408.46 648.466 304.866 1048 | 72 1428.46 652.877 304.835 1049 | 73 1448.46 666.291 304.721 1050 | 74 1468.46 667.323 304.621 1051 | 75 1488.46 656.808 304.552 1052 | 76 1508.46 650.086 303.992 1053 | 77 1528.46 648.201 303.854 1054 | 78 1548.46 649.503 303.325 1055 | 79 1568.46 657.152 303.054 1056 | 80 1588.46 669.399 302.916 1057 | 81 1608.46 664.148 302.858 1058 | 82 1628.46 653.067 302.42 1059 | 83 1648.46 648.659 301.33 1060 | 84 1668.46 648.254 301.52 1061 | 85 1688.46 650.699 301.146 1062 | 86 1708.46 661.243 300.993 1063 | 87 1728.46 668.977 300.118 1064 | 88 1748.46 661.448 299.375 1065 | 89 1768.46 651.187 300.103 1066 | 90 1788.46 648.232 300.679 1067 | 91 1808.46 648.96 299.809 1068 | 92 1828.46 653.751 298.778 1069 | 93 1848.46 664.495 298.732 1070 | 94 1868.46 667.583 299.131 1071 | 95 1888.46 657.59 298.508 1072 | 96 1908.46 649.513 298.227 1073 | 97 1928.46 648.161 297.392 1074 | 98 1948.46 650.012 297.232 1075 | 99 1968.46 656.895 297.379 1076 | 100 1988.46 667.819 296.756 1077 | 101 2008.46 665.625 295.588 1078 | 102 2028.46 653.013 296.119 1079 | 103 2048.46 648.553 295.046 1080 | 104 2068.46 648.205 294.849 1081 | 105 2088.46 650.738 294.787 1082 | 106 2108.46 660.555 294.376 1083 | 107 2128.46 669.513 294.181 1084 | 108 2148.46 662.514 294.07 1085 | 109 2168.46 650.355 293.805 1086 | 110 2188.46 648.129 293.997 1087 | 111 2208.46 648.32 292.758 1088 | 112 2228.46 652.279 292.249 1089 | 113 2248.46 664.566 291.022 1090 | 114 2268.46 671.811 290.433 1091 | 115 2288.46 656.574 290.226 1092 | 116 2308.46 648.447 289.451 1093 | 117 2328.46 648.008 289.097 1094 | 118 2348.46 648.66 288.645 1095 | 119 2368.46 655.095 287.28 1096 | 120 2388.46 669.172 283.412 1097 | 121 2408.46 667.377 278.031 1098 | 122 2428.46 653.496 284.399 1099 | 123 2448.46 648.194 286.508 1100 | 124 2468.46 648.015 288.522 1101 | 125 2488.46 649.44 289.516 1102 | 126 2508.46 659.251 290.832 1103 | 127 2528.46 670.878 290.759 1104 | 128 2548.46 662.691 291.231 1105 | 129 2568.46 651.558 292.125 1106 | 130 2588.46 648.185 293.185 1107 | 131 2608.46 648.392 293.452 1108 | 132 2628.46 651.146 294.022 1109 | 133 2648.46 664.343 294.459 1110 | 134 2668.46 670.284 294.654 1111 | 135 2688.46 658.098 296.134 1112 | 136 2708.46 649.668 296.29 1113 | 137 2728.46 648.108 296.41 1114 | 138 2748.46 648.928 296.24 1115 | 139 2768.46 654.762 296.776 1116 | 140 2788.46 668.001 297.024 1117 | 141 2808.46 666.923 296.909 1118 | 142 2828.46 654.738 297.278 1119 | 143 2848.46 648.584 297.795 1120 | 144 2868.46 648.165 297.599 1121 | 145 2888.46 649.959 297.693 1122 | 146 2908.46 657.416 298.543 1123 | 147 2928.46 668.954 299.083 1124 | 148 2948.46 664.046 299.506 1125 | 149 2968.46 652.869 300.15 1126 | 150 2988.46 648.562 300.384 1127 | 151 3008.46 648.268 300.413 1128 | 152 3028.46 652.443 301.187 1129 | 153 3048.46 663.019 300.753 1130 | 154 3068.46 668.23 301.303 1131 | 155 3088.46 659.366 301.242 1132 | 156 3108.46 650.453 301.091 1133 | 157 3128.46 648.255 300.995 1134 | 158 3148.46 648.676 301.019 1135 | 159 3168.46 656.377 301.309 1136 | 160 3188.46 667.626 301.94 1137 | 161 3208.46 321.87 302.853 1138 | 8000000 161 1139 | 1 8.45849 666.809 302.675 1140 | 2 28.4585 654.301 303.112 1141 | 3 48.4585 648.547 303.233 1142 | 4 68.4585 648.096 304.405 1143 | 5 88.4585 649.818 304.431 1144 | 6 108.458 659.018 304.232 1145 | 7 128.458 669.921 304.167 1146 | 8 148.458 663.38 304.555 1147 | 9 168.458 651.616 305.344 1148 | 10 188.458 648.154 305.119 1149 | 11 208.458 648.176 305.566 1150 | 12 228.458 652.199 305.294 1151 | 13 248.458 663.202 305.14 1152 | 14 268.458 668.476 305.619 1153 | 15 288.458 659.813 306.08 1154 | 16 308.458 650.099 306.167 1155 | 17 328.458 648.035 306.674 1156 | 18 348.458 648.471 306.723 1157 | 19 368.458 655.415 307.352 1158 | 20 388.458 665.896 307.695 1159 | 21 408.458 667.159 307.921 1160 | 22 428.458 656.241 308.343 1161 | 23 448.458 648.807 309.077 1162 | 24 468.458 648.043 309.173 1163 | 25 488.458 649.448 310.229 1164 | 26 508.458 658.198 311.062 1165 | 27 528.458 668.602 311.242 1166 | 28 548.458 665.249 310.92 1167 | 29 568.458 652.143 311.978 1168 | 30 588.458 648.321 312.239 1169 | 31 608.458 648.104 312.965 1170 | 32 628.458 650.766 312.878 1171 | 33 648.458 663.398 313.965 1172 | 34 668.458 671.837 315.18 1173 | 35 688.458 658.746 316.011 1174 | 36 708.458 649.149 316.17 1175 | 37 728.458 648.013 318.03 1176 | 38 748.458 648.312 318.252 1177 | 39 768.458 653.294 320.303 1178 | 40 788.458 666.611 324.663 1179 | 41 808.458 669.468 329.621 1180 | 42 828.458 655.637 321.964 1181 | 43 848.458 648.665 319.123 1182 | 44 868.458 648.029 317.426 1183 | 45 888.458 648.906 316.941 1184 | 46 908.458 657.257 315.332 1185 | 47 928.458 670.045 314.569 1186 | 48 948.458 665.164 313.39 1187 | 49 968.458 652.292 312.824 1188 | 50 988.458 648.309 312.135 1189 | 51 1008.46 648.093 311.135 1190 | 52 1028.46 650.668 311.161 1191 | 53 1048.46 664.799 310.782 1192 | 54 1068.46 670.27 310.442 1193 | 55 1088.46 658.745 310.243 1194 | 56 1108.46 649.395 309.849 1195 | 57 1128.46 648.052 310.121 1196 | 58 1148.46 648.589 309.401 1197 | 59 1168.46 654.348 309.429 1198 | 60 1188.46 667.914 308.098 1199 | 61 1208.46 667.944 307.384 1200 | 62 1228.46 654.754 307.348 1201 | 63 1248.46 648.434 306.61 1202 | 64 1268.46 648.067 306.768 1203 | 65 1288.46 649.147 306.33 1204 | 66 1308.46 657.181 306.639 1205 | 67 1328.46 669.863 305.761 1206 | 68 1348.46 665.834 305.893 1207 | 69 1368.46 651.823 305.164 1208 | 70 1388.46 648.128 304.939 1209 | 71 1408.46 648.738 305.027 1210 | 72 1428.46 651.84 304.587 1211 | 73 1448.46 662.945 304.361 1212 | 74 1468.46 668.727 304.142 1213 | 75 1488.46 659.689 303.803 1214 | 76 1508.46 649.979 303.59 1215 | 77 1528.46 648.186 303.728 1216 | 78 1548.46 649.369 303.458 1217 | 79 1568.46 655.242 303.673 1218 | 80 1588.46 668.713 302.982 1219 | 81 1608.46 665.807 302.001 1220 | 82 1628.46 653.882 301.619 1221 | 83 1648.46 648.797 301.197 1222 | 84 1668.46 648.26 301.158 1223 | 85 1688.46 650.173 301.247 1224 | 86 1708.46 658.353 300.146 1225 | 87 1728.46 670.23 300.777 1226 | 88 1748.46 663.341 300.346 1227 | 89 1768.46 651.383 300.18 1228 | 90 1788.46 648.299 299.291 1229 | 91 1808.46 648.317 299.098 1230 | 92 1828.46 651.719 298.79 1231 | 93 1848.46 663.775 298.291 1232 | 94 1868.46 671.201 298.609 1233 | 95 1888.46 657.809 297.739 1234 | 96 1908.46 649.156 297.443 1235 | 97 1928.46 648.08 297.862 1236 | 98 1948.46 649.331 296.501 1237 | 99 1968.46 655.834 297.133 1238 | 100 1988.46 667.868 297.029 1239 | 101 2008.46 666.248 296.665 1240 | 102 2028.46 654.034 295.739 1241 | 103 2048.46 648.623 294.908 1242 | 104 2068.46 648.075 294.889 1243 | 105 2088.46 650.045 294.017 1244 | 106 2108.46 660.183 293.915 1245 | 107 2128.46 670.432 293.568 1246 | 108 2148.46 661.498 293.679 1247 | 109 2168.46 651.448 293.049 1248 | 110 2188.46 648.314 292.601 1249 | 111 2208.46 648.216 292.681 1250 | 112 2228.46 652.174 292.294 1251 | 113 2248.46 666.387 291.875 1252 | 114 2268.46 668.674 291.168 1253 | 115 2288.46 657.04 290.012 1254 | 116 2308.46 649.474 289.015 1255 | 117 2328.46 648.053 288.704 1256 | 118 2348.46 648.448 287.306 1257 | 119 2368.46 655.642 285.758 1258 | 120 2388.46 670.106 282.358 1259 | 121 2408.46 665.493 278.003 1260 | 122 2428.46 653.514 284.262 1261 | 123 2448.46 648.78 286.659 1262 | 124 2468.46 648.029 288.42 1263 | 125 2488.46 649.595 288.806 1264 | 126 2508.46 660.128 290.179 1265 | 127 2528.46 672.081 290.789 1266 | 128 2548.46 661.631 291.951 1267 | 129 2568.46 650.232 292.361 1268 | 130 2588.46 648.313 293.56 1269 | 131 2608.46 648.365 293.257 1270 | 132 2628.46 653.078 293.919 1271 | 133 2648.46 665.404 294.593 1272 | 134 2668.46 670.721 295.051 1273 | 135 2688.46 655.884 295.867 1274 | 136 2708.46 648.55 295.918 1275 | 137 2728.46 648.017 296.4 1276 | 138 2748.46 649.203 297.014 1277 | 139 2768.46 656.724 296.619 1278 | 140 2788.46 668.766 297.161 1279 | 141 2808.46 665.593 297.739 1280 | 142 2828.46 653.268 297.302 1281 | 143 2848.46 648.431 297.893 1282 | 144 2868.46 648.063 297.935 1283 | 145 2888.46 649.914 298.672 1284 | 146 2908.46 660.419 299.338 1285 | 147 2928.46 670.269 299.088 1286 | 148 2948.46 661.687 299.47 1287 | 149 2968.46 651.389 300.038 1288 | 150 2988.46 648.262 300.015 1289 | 151 3008.46 648.43 300.061 1290 | 152 3028.46 653.708 300.653 1291 | 153 3048.46 664.751 300.845 1292 | 154 3068.46 667.785 300.855 1293 | 155 3088.46 657.364 301.51 1294 | 156 3108.46 649.821 301.256 1295 | 157 3128.46 648.182 300.645 1296 | 158 3148.46 649.091 301.265 1297 | 159 3168.46 657.213 301.716 1298 | 160 3188.46 668.278 302.427 1299 | 161 3208.46 321.716 302.586 1300 | 9000000 161 1301 | 1 8.45849 666.019 301.463 1302 | 2 28.4585 655.222 302.249 1303 | 3 48.4585 648.976 302.883 1304 | 4 68.4585 648.213 303.064 1305 | 5 88.4585 650.79 303.969 1306 | 6 108.458 659.758 303.902 1307 | 7 128.458 667.043 303.48 1308 | 8 148.458 662.657 304.412 1309 | 9 168.458 653.145 305.344 1310 | 10 188.458 648.552 305.464 1311 | 11 208.458 648.972 305.851 1312 | 12 228.458 652.959 306.133 1313 | 13 248.458 663.236 306.052 1314 | 14 268.458 666.643 306.059 1315 | 15 288.458 658.916 306.905 1316 | 16 308.458 650.895 306.787 1317 | 17 328.458 648.332 306.785 1318 | 18 348.458 649.638 307.286 1319 | 19 368.458 657.143 307.16 1320 | 20 388.458 666.747 307.669 1321 | 21 408.458 664.645 307.689 1322 | 22 428.458 654.281 307.983 1323 | 23 448.458 649.377 308.355 1324 | 24 468.458 648.272 308.737 1325 | 25 488.458 650.92 308.239 1326 | 26 508.458 660.458 308.567 1327 | 27 528.458 669.077 308.941 1328 | 28 548.458 660.929 309.389 1329 | 29 568.458 652 309.703 1330 | 30 588.458 648.45 311.029 1331 | 31 608.458 648.396 312.826 1332 | 32 628.458 652.705 312.866 1333 | 33 648.458 664.594 313.152 1334 | 34 668.458 668.737 314.108 1335 | 35 688.458 657.871 314.568 1336 | 36 708.458 649.629 315.357 1337 | 37 728.458 648.09 316.889 1338 | 38 748.458 649.147 317.446 1339 | 39 768.458 655.945 319.108 1340 | 40 788.458 666.517 323.537 1341 | 41 808.458 666.093 328.104 1342 | 42 828.458 655.379 320.894 1343 | 43 848.458 648.877 317.97 1344 | 44 868.458 648.128 316.619 1345 | 45 888.458 650.675 315.769 1346 | 46 908.458 659.661 315.571 1347 | 47 928.458 668.141 315.859 1348 | 48 948.458 663.073 314.722 1349 | 49 968.458 652.155 313.458 1350 | 50 988.458 648.199 312.51 1351 | 51 1008.46 648.631 312.668 1352 | 52 1028.46 652.243 312.365 1353 | 53 1048.46 663.651 312.144 1354 | 54 1068.46 670.154 311.4 1355 | 55 1088.46 657.59 310.759 1356 | 56 1108.46 649.637 309.34 1357 | 57 1128.46 648.196 309.086 1358 | 58 1148.46 649.079 309.175 1359 | 59 1168.46 654.989 308.177 1360 | 60 1188.46 666.473 308.141 1361 | 61 1208.46 668.315 307.352 1362 | 62 1228.46 654.345 307.427 1363 | 63 1248.46 648.675 307.118 1364 | 64 1268.46 648.191 307.211 1365 | 65 1288.46 649.434 306.644 1366 | 66 1308.46 657.728 305.672 1367 | 67 1328.46 669.633 305.328 1368 | 68 1348.46 664.458 306.065 1369 | 69 1368.46 652.403 305.409 1370 | 70 1388.46 648.168 305.245 1371 | 71 1408.46 648.346 305.515 1372 | 72 1428.46 651.293 304.501 1373 | 73 1448.46 663.957 303.707 1374 | 74 1468.46 669.29 303.095 1375 | 75 1488.46 659.012 302.628 1376 | 76 1508.46 649.96 303.25 1377 | 77 1528.46 648.139 303.387 1378 | 78 1548.46 648.653 302.768 1379 | 79 1568.46 655.335 302.259 1380 | 80 1588.46 668.424 302.213 1381 | 81 1608.46 666.97 302.087 1382 | 82 1628.46 653.894 302.713 1383 | 83 1648.46 648.714 301.941 1384 | 84 1668.46 648.058 301.897 1385 | 85 1688.46 649.533 301.216 1386 | 86 1708.46 658.458 300.863 1387 | 87 1728.46 671.021 300.111 1388 | 88 1748.46 662.981 300.673 1389 | 89 1768.46 651.687 300.423 1390 | 90 1788.46 648.269 300.484 1391 | 91 1808.46 648.3 300.329 1392 | 92 1828.46 651.069 299.358 1393 | 93 1848.46 661.908 299.426 1394 | 94 1868.46 671.948 299.39 1395 | 95 1888.46 658.918 299.082 1396 | 96 1908.46 649.807 299.168 1397 | 97 1928.46 648.082 298.639 1398 | 98 1948.46 649.042 298.311 1399 | 99 1968.46 654.467 298.021 1400 | 100 1988.46 666.914 296.992 1401 | 101 2008.46 668.203 297.163 1402 | 102 2028.46 654.967 296.419 1403 | 103 2048.46 648.378 295.946 1404 | 104 2068.46 648.167 296.665 1405 | 105 2088.46 650.424 296.099 1406 | 106 2108.46 658.749 295.757 1407 | 107 2128.46 668.993 295.899 1408 | 108 2148.46 663.495 295.142 1409 | 109 2168.46 651.984 295.043 1410 | 110 2188.46 648.26 294.003 1411 | 111 2208.46 648.63 293.339 1412 | 112 2228.46 652.435 293.835 1413 | 113 2248.46 663.716 292.456 1414 | 114 2268.46 669.072 292.538 1415 | 115 2288.46 657.891 290.988 1416 | 116 2308.46 650.113 290.651 1417 | 117 2328.46 648.344 289.273 1418 | 118 2348.46 649.377 288.162 1419 | 119 2368.46 655.05 286.159 1420 | 120 2388.46 666.706 283.051 1421 | 121 2408.46 665.782 278.395 1422 | 122 2428.46 655.174 284.792 1423 | 123 2448.46 649.626 287.099 1424 | 124 2468.46 648.326 288.718 1425 | 125 2488.46 650.108 290.613 1426 | 126 2508.46 659.35 290.538 1427 | 127 2528.46 669.665 291.413 1428 | 128 2548.46 661.192 292.082 1429 | 129 2568.46 652.653 292.835 1430 | 130 2588.46 648.719 293.853 1431 | 131 2608.46 648.308 294.164 1432 | 132 2628.46 652.599 294.03 1433 | 133 2648.46 665.577 294.113 1434 | 134 2668.46 667.852 294.596 1435 | 135 2688.46 657.111 294.641 1436 | 136 2708.46 650.338 294.678 1437 | 137 2728.46 648.212 295.488 1438 | 138 2748.46 648.568 295.293 1439 | 139 2768.46 655.739 296.028 1440 | 140 2788.46 669.379 296.625 1441 | 141 2808.46 664.991 297.329 1442 | 142 2828.46 654.413 298.02 1443 | 143 2848.46 648.9 297.775 1444 | 144 2868.46 648.043 297.874 1445 | 145 2888.46 649.641 297.891 1446 | 146 2908.46 658.656 297.886 1447 | 147 2928.46 670.359 298.28 1448 | 148 2948.46 662.338 298.674 1449 | 149 2968.46 652.207 298.537 1450 | 150 2988.46 648.728 299.201 1451 | 151 3008.46 648.543 299.567 1452 | 152 3028.46 653.224 299.458 1453 | 153 3048.46 664.827 299.51 1454 | 154 3068.46 667.294 300.514 1455 | 155 3088.46 657.236 300.494 1456 | 156 3108.46 650.561 300.762 1457 | 157 3128.46 648.466 301.09 1458 | 158 3148.46 649.859 301.852 1459 | 159 3168.46 657.834 302.027 1460 | 160 3188.46 665.861 301.844 1461 | 161 3208.46 322.075 301.471 1462 | 10000000 161 1463 | 1 8.45849 665.943 301.747 1464 | 2 28.4585 655.079 301.638 1465 | 3 48.4585 648.858 302.154 1466 | 4 68.4585 648.363 303.116 1467 | 5 88.4585 650.604 303.353 1468 | 6 108.458 657.998 303.228 1469 | 7 128.458 669.353 303.161 1470 | 8 148.458 663.202 303.616 1471 | 9 168.458 652.25 304.449 1472 | 10 188.458 648.267 305.122 1473 | 11 208.458 648.675 305.126 1474 | 12 228.458 652.117 305.121 1475 | 13 248.458 663.338 305.227 1476 | 14 268.458 669.571 305.411 1477 | 15 288.458 658.486 305.998 1478 | 16 308.458 649.689 306.127 1479 | 17 328.458 648.117 306.272 1480 | 18 348.458 649.202 305.702 1481 | 19 368.458 656.139 306.225 1482 | 20 388.458 668.008 306.901 1483 | 21 408.458 666.102 307.212 1484 | 22 428.458 653.64 307.979 1485 | 23 448.458 648.845 308.434 1486 | 24 468.458 648.175 308.972 1487 | 25 488.458 650.605 309.379 1488 | 26 508.458 660.835 309.648 1489 | 27 528.458 668.587 310.993 1490 | 28 548.458 661.651 311.719 1491 | 29 568.458 651.83 311.444 1492 | 30 588.458 648.362 312.331 1493 | 31 608.458 648.478 312.695 1494 | 32 628.458 652.971 313.562 1495 | 33 648.458 665.404 313.77 1496 | 34 668.458 668.928 314.166 1497 | 35 688.458 656.481 314.698 1498 | 36 708.458 649.61 315.678 1499 | 37 728.458 648.236 316.959 1500 | 38 748.458 649.253 318.189 1501 | 39 768.458 656.307 319.572 1502 | 40 788.458 668.29 323.387 1503 | 41 808.458 665.282 329.175 1504 | 42 828.458 653.993 321.188 1505 | 43 848.458 648.755 318.313 1506 | 44 868.458 648.096 317.163 1507 | 45 888.458 650.299 316.238 1508 | 46 908.458 660.325 315.704 1509 | 47 928.458 669.806 315.117 1510 | 48 948.458 662.5 313.817 1511 | 49 968.458 650.804 313.621 1512 | 50 988.458 648.177 312.758 1513 | 51 1008.46 648.214 312.349 1514 | 52 1028.46 652.833 311.865 1515 | 53 1048.46 667.049 311.466 1516 | 54 1068.46 668.249 310.758 1517 | 55 1088.46 656.444 310.429 1518 | 56 1108.46 649.139 310.293 1519 | 57 1128.46 648.093 310.104 1520 | 58 1148.46 649.139 309.932 1521 | 59 1168.46 656.719 308.759 1522 | 60 1188.46 668.714 308.122 1523 | 61 1208.46 665.155 308.257 1524 | 62 1228.46 653.869 308.28 1525 | 63 1248.46 648.381 307.374 1526 | 64 1268.46 648.034 307.171 1527 | 65 1288.46 649.893 306.62 1528 | 66 1308.46 660.401 306.881 1529 | 67 1328.46 670.24 306.923 1530 | 68 1348.46 662.45 306.824 1531 | 69 1368.46 650.774 306.374 1532 | 70 1388.46 648.213 306.041 1533 | 71 1408.46 648.343 305.794 1534 | 72 1428.46 653.18 305.22 1535 | 73 1448.46 664.572 305.744 1536 | 74 1468.46 668.556 304.244 1537 | 75 1488.46 657.702 304.374 1538 | 76 1508.46 649.596 304.073 1539 | 77 1528.46 648.053 304.146 1540 | 78 1548.46 649.198 304.423 1541 | 79 1568.46 657.143 303.776 1542 | 80 1588.46 666.93 303.91 1543 | 81 1608.46 665.589 302.854 1544 | 82 1628.46 654.32 302.455 1545 | 83 1648.46 648.798 302.522 1546 | 84 1668.46 648.113 302.779 1547 | 85 1688.46 650.459 301.987 1548 | 86 1708.46 659.597 301.398 1549 | 87 1728.46 668.661 301.459 1550 | 88 1748.46 663.348 301.027 1551 | 89 1768.46 651.516 301.014 1552 | 90 1788.46 648.309 300.832 1553 | 91 1808.46 648.271 300.003 1554 | 92 1828.46 652.494 299.892 1555 | 93 1848.46 663.287 298.744 1556 | 94 1868.46 669.093 299.503 1557 | 95 1888.46 658.942 299.004 1558 | 96 1908.46 649.769 298.004 1559 | 97 1928.46 648.158 298.135 1560 | 98 1948.46 648.665 297.29 1561 | 99 1968.46 654.908 297.148 1562 | 100 1988.46 666.401 297.254 1563 | 101 2008.46 667.475 296.404 1564 | 102 2028.46 655.474 296.95 1565 | 103 2048.46 649.054 296.89 1566 | 104 2068.46 648.051 296.794 1567 | 105 2088.46 649.388 295.756 1568 | 106 2108.46 658.41 295.224 1569 | 107 2128.46 669.011 294.976 1570 | 108 2148.46 664.07 294.162 1571 | 109 2168.46 652.421 292.594 1572 | 110 2188.46 648.627 292.504 1573 | 111 2208.46 648.145 293.016 1574 | 112 2228.46 651.132 292.683 1575 | 113 2248.46 662.651 292.503 1576 | 114 2268.46 670.296 291.069 1577 | 115 2288.46 659.756 290.726 1578 | 116 2308.46 649.989 290.279 1579 | 117 2328.46 648.079 289.253 1580 | 118 2348.46 648.587 287.807 1581 | 119 2368.46 653.332 285.781 1582 | 120 2388.46 665.358 282.409 1583 | 121 2408.46 669.171 277.24 1584 | 122 2428.46 656.512 284.564 1585 | 123 2448.46 649.024 286.734 1586 | 124 2468.46 648.039 288.316 1587 | 125 2488.46 649.743 289.963 1588 | 126 2508.46 657.233 289.964 1589 | 127 2528.46 668.331 290.542 1590 | 128 2548.46 665.206 291.712 1591 | 129 2568.46 653.041 292.076 1592 | 130 2588.46 648.415 293.128 1593 | 131 2608.46 648.264 293.868 1594 | 132 2628.46 652.346 294.211 1595 | 133 2648.46 662.858 294.731 1596 | 134 2668.46 669.148 295.41 1597 | 135 2688.46 658.842 294.681 1598 | 136 2708.46 650.437 294.577 1599 | 137 2728.46 648.129 295.585 1600 | 138 2748.46 648.784 296.015 1601 | 139 2768.46 654.955 295.815 1602 | 140 2788.46 667.044 296.038 1603 | 141 2808.46 667.369 296.332 1604 | 142 2828.46 654.798 296.869 1605 | 143 2848.46 649.004 297.822 1606 | 144 2868.46 648.044 297.25 1607 | 145 2888.46 648.985 296.951 1608 | 146 2908.46 658.347 297.561 1609 | 147 2928.46 669.967 298.431 1610 | 148 2948.46 663.717 298.888 1611 | 149 2968.46 652.667 298.763 1612 | 150 2988.46 648.346 299.531 1613 | 151 3008.46 648.688 299.654 1614 | 152 3028.46 651.91 299.795 1615 | 153 3048.46 664.767 299.861 1616 | 154 3068.46 667.665 300.79 1617 | 155 3088.46 658.412 300.342 1618 | 156 3108.46 650.41 300.455 1619 | 157 3128.46 648.246 300.78 1620 | 158 3148.46 649.7 300.348 1621 | 159 3168.46 656.201 300.542 1622 | 160 3188.46 668.338 300.37 1623 | 161 3208.46 321.733 300.565 1624 | 11000000 161 1625 | 1 8.45849 666.987 303.189 1626 | 2 28.4585 654.706 303.263 1627 | 3 48.4585 648.615 303.08 1628 | 4 68.4585 648.211 304.163 1629 | 5 88.4585 650.307 303.851 1630 | 6 108.458 658.523 304.08 1631 | 7 128.458 668.65 303.93 1632 | 8 148.458 664.575 304.514 1633 | 9 168.458 651.54 304.833 1634 | 10 188.458 648.207 305.589 1635 | 11 208.458 648.224 305.329 1636 | 12 228.458 651.54 305.273 1637 | 13 248.458 661.967 305.859 1638 | 14 268.458 671.356 306.256 1639 | 15 288.458 659.209 306.483 1640 | 16 308.458 649.673 306.166 1641 | 17 328.458 648.047 306.603 1642 | 18 348.458 648.52 307.161 1643 | 19 368.458 654.712 307.331 1644 | 20 388.458 667.538 307.612 1645 | 21 408.458 667.43 307.929 1646 | 22 428.458 655.122 307.908 1647 | 23 448.458 648.655 307.72 1648 | 24 468.458 648.019 308.177 1649 | 25 488.458 649.309 308.017 1650 | 26 508.458 658.81 308.925 1651 | 27 528.458 669.238 310.04 1652 | 28 548.458 663.602 310.793 1653 | 29 568.458 652.715 310.12 1654 | 30 588.458 648.316 310.237 1655 | 31 608.458 648.08 311.056 1656 | 32 628.458 651.633 311.834 1657 | 33 648.458 664.934 313.868 1658 | 34 668.458 667.982 313.717 1659 | 35 688.458 658.165 314.277 1660 | 36 708.458 650.815 315.767 1661 | 37 728.458 648.389 316.985 1662 | 38 748.458 648.461 318.337 1663 | 39 768.458 655.813 320.055 1664 | 40 788.458 666.974 324.146 1665 | 41 808.458 665.075 328.58 1666 | 42 828.458 655.364 321.674 1667 | 43 848.458 649.927 318.735 1668 | 44 868.458 648.411 316.629 1669 | 45 888.458 649.725 315.514 1670 | 46 908.458 659.869 314.428 1671 | 47 928.458 668.166 313.666 1672 | 48 948.458 662.919 313.212 1673 | 49 968.458 652.626 313.062 1674 | 50 988.458 648.667 312.891 1675 | 51 1008.46 648.295 312.052 1676 | 52 1028.46 652.978 311.856 1677 | 53 1048.46 664.259 311.634 1678 | 54 1068.46 666.88 311.325 1679 | 55 1088.46 659.075 310.969 1680 | 56 1108.46 650.343 309.597 1681 | 57 1128.46 648.176 309.447 1682 | 58 1148.46 648.699 309.539 1683 | 59 1168.46 655.673 309.285 1684 | 60 1188.46 667.211 308.8 1685 | 61 1208.46 665.357 308.928 1686 | 62 1228.46 656.12 309.511 1687 | 63 1248.46 648.929 308.701 1688 | 64 1268.46 648.058 307.815 1689 | 65 1288.46 649.608 306.983 1690 | 66 1308.46 658.49 305.945 1691 | 67 1328.46 668.622 306.328 1692 | 68 1348.46 663.69 306.259 1693 | 69 1368.46 653.193 306.251 1694 | 70 1388.46 648.41 306.242 1695 | 71 1408.46 648.682 305.286 1696 | 72 1428.46 652.227 305.607 1697 | 73 1448.46 662.84 304.615 1698 | 74 1468.46 668.975 304.584 1699 | 75 1488.46 659.282 304.441 1700 | 76 1508.46 649.844 303.857 1701 | 77 1528.46 648.283 302.553 1702 | 78 1548.46 649.317 302.287 1703 | 79 1568.46 655.719 302.051 1704 | 80 1588.46 666.101 301.499 1705 | 81 1608.46 667.261 301.365 1706 | 82 1628.46 654.671 301.133 1707 | 83 1648.46 648.706 302.179 1708 | 84 1668.46 648.532 301.288 1709 | 85 1688.46 649.934 301.122 1710 | 86 1708.46 657.978 301.407 1711 | 87 1728.46 669.313 301.144 1712 | 88 1748.46 663.691 300.4 1713 | 89 1768.46 652.266 299.935 1714 | 90 1788.46 648.345 299.499 1715 | 91 1808.46 648.492 299.612 1716 | 92 1828.46 651.708 299.147 1717 | 93 1848.46 663.186 299.306 1718 | 94 1868.46 669.642 299.023 1719 | 95 1888.46 658.764 298.541 1720 | 96 1908.46 650.108 299.077 1721 | 97 1928.46 648.259 298.461 1722 | 98 1948.46 649.346 297.408 1723 | 99 1968.46 655.953 297.133 1724 | 100 1988.46 666.871 297.799 1725 | 101 2008.46 666.595 297.08 1726 | 102 2028.46 654.251 296.771 1727 | 103 2048.46 648.777 296.973 1728 | 104 2068.46 648.191 296.096 1729 | 105 2088.46 651.035 295.753 1730 | 106 2108.46 660.317 295.078 1731 | 107 2128.46 667.156 296.013 1732 | 108 2148.46 663.146 295.382 1733 | 109 2168.46 651.834 295.222 1734 | 110 2188.46 648.347 293.837 1735 | 111 2208.46 648.533 292.416 1736 | 112 2228.46 654.086 293.206 1737 | 113 2248.46 663.736 292.365 1738 | 114 2268.46 667.071 291.874 1739 | 115 2288.46 658.57 290.806 1740 | 116 2308.46 649.9 290.529 1741 | 117 2328.46 648.167 289.072 1742 | 118 2348.46 650.046 287.806 1743 | 119 2368.46 656.926 285.887 1744 | 120 2388.46 664.823 282.896 1745 | 121 2408.46 665.49 277.898 1746 | 122 2428.46 655.336 284.42 1747 | 123 2448.46 649.241 286.748 1748 | 124 2468.46 648.288 288.617 1749 | 125 2488.46 651.394 289.668 1750 | 126 2508.46 660.417 290.345 1751 | 127 2528.46 667.4 291.436 1752 | 128 2548.46 662.04 292.238 1753 | 129 2568.46 651.783 292.34 1754 | 130 2588.46 648.702 292.64 1755 | 131 2608.46 648.777 292.188 1756 | 132 2628.46 654.303 293.463 1757 | 133 2648.46 665.231 293.601 1758 | 134 2668.46 667.503 292.986 1759 | 135 2688.46 656.661 294.171 1760 | 136 2708.46 649.19 294.254 1761 | 137 2728.46 648.35 294.66 1762 | 138 2748.46 649.19 294.82 1763 | 139 2768.46 657.367 296.323 1764 | 140 2788.46 667.861 296.752 1765 | 141 2808.46 665.136 297.175 1766 | 142 2828.46 653.898 296.999 1767 | 143 2848.46 648.561 297.332 1768 | 144 2868.46 648.046 297.761 1769 | 145 2888.46 650.249 298.245 1770 | 146 2908.46 660.616 298.833 1771 | 147 2928.46 668.714 299.131 1772 | 148 2948.46 663.136 299.433 1773 | 149 2968.46 651.172 299.306 1774 | 150 2988.46 648.208 299.161 1775 | 151 3008.46 648.963 299.885 1776 | 152 3028.46 653.578 300.122 1777 | 153 3048.46 662.788 301.076 1778 | 154 3068.46 669.233 300.706 1779 | 155 3088.46 657.562 300.665 1780 | 156 3108.46 649.719 301.038 1781 | 157 3128.46 648.244 300.679 1782 | 158 3148.46 649.819 301.72 1783 | 159 3168.46 657.074 302.167 1784 | 160 3188.46 666.572 302.394 1785 | 161 3208.46 322 302.667 1786 | 12000000 161 1787 | 1 8.45849 666.887 303.515 1788 | 2 28.4585 655.819 303.094 1789 | 3 48.4585 649.007 303.474 1790 | 4 68.4585 648.126 304.224 1791 | 5 88.4585 650.253 304.284 1792 | 6 108.458 657.602 303.949 1793 | 7 128.458 667.811 304.703 1794 | 8 148.458 664.347 304.252 1795 | 9 168.458 653.35 304.799 1796 | 10 188.458 648.548 304.77 1797 | 11 208.458 648.468 305.255 1798 | 12 228.458 652.944 305.815 1799 | 13 248.458 660.693 305.589 1800 | 14 268.458 668.079 305.793 1801 | 15 288.458 660.471 306.101 1802 | 16 308.458 651.08 305.818 1803 | 17 328.458 648.28 305.81 1804 | 18 348.458 649.233 306.358 1805 | 19 368.458 655.692 306.886 1806 | 20 388.458 663.089 306.944 1807 | 21 408.458 666.568 307.526 1808 | 22 428.458 657.46 307.85 1809 | 23 448.458 649.813 308.063 1810 | 24 468.458 648.173 308.484 1811 | 25 488.458 650.483 310.066 1812 | 26 508.458 658.851 310.762 1813 | 27 528.458 665.76 310.419 1814 | 28 548.458 663.765 311.326 1815 | 29 568.458 654.119 311.022 1816 | 30 588.458 648.952 311.476 1817 | 31 608.458 648.384 312.414 1818 | 32 628.458 651.977 312.83 1819 | 33 648.458 661.724 313.655 1820 | 34 668.458 667.326 314.025 1821 | 35 688.458 660.932 315.43 1822 | 36 708.458 651.247 315.517 1823 | 37 728.458 648.51 316.878 1824 | 38 748.458 649.293 318.99 1825 | 39 768.458 653.816 320.738 1826 | 40 788.458 664.389 323.925 1827 | 41 808.458 666.371 329.016 1828 | 42 828.458 657.262 320.746 1829 | 43 848.458 650.537 318.217 1830 | 44 868.458 648.337 315.967 1831 | 45 888.458 650.624 314.218 1832 | 46 908.458 658.549 313.561 1833 | 47 928.458 665.838 313.464 1834 | 48 948.458 663.686 311.876 1835 | 49 968.458 653.838 311.325 1836 | 50 988.458 649.332 311.243 1837 | 51 1008.46 648.403 310.667 1838 | 52 1028.46 652.525 310.271 1839 | 53 1048.46 662.94 310.598 1840 | 54 1068.46 668.142 309.931 1841 | 55 1088.46 658.876 308.535 1842 | 56 1108.46 650.959 308.417 1843 | 57 1128.46 648.221 308.777 1844 | 58 1148.46 648.976 307.868 1845 | 59 1168.46 654.707 307.664 1846 | 60 1188.46 666.475 307.965 1847 | 61 1208.46 666.004 307.659 1848 | 62 1228.46 656.009 307.749 1849 | 63 1248.46 649.718 306.793 1850 | 64 1268.46 648.132 306.424 1851 | 65 1288.46 649.771 306.318 1852 | 66 1308.46 658.456 305.425 1853 | 67 1328.46 666.65 304.985 1854 | 68 1348.46 664.516 305.126 1855 | 69 1368.46 653.707 305.044 1856 | 70 1388.46 648.856 305.201 1857 | 71 1408.46 648.754 304.283 1858 | 72 1428.46 653.649 304.378 1859 | 73 1448.46 662.802 303.863 1860 | 74 1468.46 666.081 302.996 1861 | 75 1488.46 660.068 303.549 1862 | 76 1508.46 650.522 303.255 1863 | 77 1528.46 648.174 303.129 1864 | 78 1548.46 650.28 302.773 1865 | 79 1568.46 657.737 302.991 1866 | 80 1588.46 665.483 302.941 1867 | 81 1608.46 664.083 302.775 1868 | 82 1628.46 655.043 302.61 1869 | 83 1648.46 649.293 302.28 1870 | 84 1668.46 648.272 302.362 1871 | 85 1688.46 651.57 302.199 1872 | 86 1708.46 660.56 302.24 1873 | 87 1728.46 665.926 301.341 1874 | 88 1748.46 662.425 299.881 1875 | 89 1768.46 652.733 300.113 1876 | 90 1788.46 648.564 300.138 1877 | 91 1808.46 648.675 300.002 1878 | 92 1828.46 654.161 300.066 1879 | 93 1848.46 664.528 299.212 1880 | 94 1868.46 665.985 298.757 1881 | 95 1888.46 657.976 298.88 1882 | 96 1908.46 650.392 298.5 1883 | 97 1928.46 648.381 298.813 1884 | 98 1948.46 649.59 298.706 1885 | 99 1968.46 658.743 297.953 1886 | 100 1988.46 668.01 298.148 1887 | 101 2008.46 662.702 297.799 1888 | 102 2028.46 654.03 297.983 1889 | 103 2048.46 648.798 296.869 1890 | 104 2068.46 648.267 296.154 1891 | 105 2088.46 651.696 295.168 1892 | 106 2108.46 661.957 295.103 1893 | 107 2128.46 667.532 295.095 1894 | 108 2148.46 660.79 294.602 1895 | 109 2168.46 651.554 294.706 1896 | 110 2188.46 648.392 294.529 1897 | 111 2208.46 649.077 294.241 1898 | 112 2228.46 654.039 293.417 1899 | 113 2248.46 664.607 292.461 1900 | 114 2268.46 667.154 291.659 1901 | 115 2288.46 657.769 291.076 1902 | 116 2308.46 649.253 289.798 1903 | 117 2328.46 648.75 289.243 1904 | 118 2348.46 651.162 288.059 1905 | 119 2368.46 655.714 286.845 1906 | 120 2388.46 665.63 283.316 1907 | 121 2408.46 665.451 277.805 1908 | 122 2428.46 654.785 284.441 1909 | 123 2448.46 648.869 287.206 1910 | 124 2468.46 648.723 288.428 1911 | 125 2488.46 652.323 289.319 1912 | 126 2508.46 658.996 290.063 1913 | 127 2528.46 667.944 291.288 1914 | 128 2548.46 661.5 292.479 1915 | 129 2568.46 651.923 292.591 1916 | 130 2588.46 648.614 293.021 1917 | 131 2608.46 649.281 293.61 1918 | 132 2628.46 653.724 293.296 1919 | 133 2648.46 663.738 294.216 1920 | 134 2668.46 667.467 294.836 1921 | 135 2688.46 657.251 296.043 1922 | 136 2708.46 649.938 295.876 1923 | 137 2728.46 648.55 296.433 1924 | 138 2748.46 649.98 296.373 1925 | 139 2768.46 656.623 296.34 1926 | 140 2788.46 666.237 296.836 1927 | 141 2808.46 665.568 297.251 1928 | 142 2828.46 654.243 298.041 1929 | 143 2848.46 648.924 297.166 1930 | 144 2868.46 648.318 297.826 1931 | 145 2888.46 651.243 298.826 1932 | 146 2908.46 659.566 299.069 1933 | 147 2928.46 667.476 299.087 1934 | 148 2948.46 662.658 299.382 1935 | 149 2968.46 652.219 299.562 1936 | 150 2988.46 648.541 299.831 1937 | 151 3008.46 648.629 299.98 1938 | 152 3028.46 653.433 300.955 1939 | 153 3048.46 664.355 300.73 1940 | 154 3068.46 668.218 300.895 1941 | 155 3088.46 657.451 300.866 1942 | 156 3108.46 649.813 301.268 1943 | 157 3128.46 648.162 301.578 1944 | 158 3148.46 649.29 301.206 1945 | 159 3168.46 655.932 301.917 1946 | 160 3188.46 667.185 303.166 1947 | 161 3208.46 321.787 303.356 1948 | -------------------------------------------------------------------------------- /caldos.py: -------------------------------------------------------------------------------- 1 | import matplotlib.pyplot as plt 2 | import numpy as np 3 | import pandas as pd 4 | import linecache 5 | import os 6 | import subprocess 7 | import shlex 8 | import sys 9 | #Variables for plotting 10 | omega = '$\omega(meV)$' 11 | vacf_math = '$\\frac{\mathbb{E}[V_tV_0]}{\mathbb{E}[V_0V_0]}$' 12 | time = 'Time(ps)' 13 | dos_math = '$G(\omega)$' 14 | dos = 'Density of States' 15 | vacf = 'Velocity auto-correlation of atom' 16 | cv = 'Specific Heat($C_v$)' 17 | temp = 'Temperature(K)' 18 | 19 | #Filenames stored in a dict for ease of access 20 | p_files = {'VOC_typeA.txt':[time, vacf_math, vacf + ' 1'], 'VOC_typeB.txt':[time, vacf_math, vacf + ' 2'], 'PDOS_typeA.txt':[omega, dos_math, dos + ' Atom' + ' 1'], 'PDOS_typeB.txt':[omega, dos_math, dos + ' Atom' + ' 2'] } 21 | t_files ={'Specific_heat.txt':[temp, cv, 'Specific Heat'], 'DOS_total.txt':[omega, dos_math, dos]} 22 | 23 | 24 | def get_dos(filename): 25 | input="./dos"+" "+"dumpdos.nve"+" "+filename 26 | os.system('rm -f dos') 27 | os.system('gcc -lm -o dos ./dos.c') 28 | args=shlex.split(input) 29 | child_process=subprocess.Popen(args) 30 | child_process.wait() 31 | if child_process.returncode > 0 : 32 | print("-----error-------") 33 | sys.exit() 34 | else: 35 | print("----Successful-----") 36 | 37 | def showimage(filename, label1): 38 | inputdata = open(filename, 'r') 39 | xval=list(); 40 | yval=list(); 41 | for lines in inputdata: 42 | lines = lines.replace("\n", "").split() 43 | xval.append(float(lines[0])) 44 | yval.append(float(lines[1])) 45 | plt.plot(xval, yval, linewidth=2.5, label = label1) 46 | plt.legend(fontsize = 12) 47 | 48 | def plotsubplots(data, num1, num): 49 | for (i,j) in zip(data, range(1,num)): 50 | plt.subplot(num1,2,j) 51 | showimage(i, data[i][2]) 52 | plt.xlabel(data[i][0], fontsize=15) 53 | plt.ylabel(data[i][1], fontsize=25) 54 | plt.xticks(fontsize = 15) 55 | plt.yticks(fontsize = 15) 56 | plt.xlim(xmin=0) 57 | plt.show() 58 | 59 | get_dos('input.txt') 60 | plt.figure(figsize=(20,8)) 61 | plotsubplots(t_files,1,3) 62 | -------------------------------------------------------------------------------- /dos.c: -------------------------------------------------------------------------------- 1 | #include 2 | #include 3 | #include 4 | #include 5 | #include "dos.h" 6 | 7 | static void readinput_parameter(char *inputfilename){ 8 | FILE *fp; 9 | char buf[1024]; 10 | char field1[100],field2[100]; 11 | int counter=0; 12 | fp=fopen(inputfilename,"r"); 13 | if(fp==NULL){ 14 | fprintf(stderr,"input parameter file: input.txt doesnot exists\n"); 15 | exit(1); 16 | }else{ 17 | while(fgets(buf,sizeof(buf),fp) !=NULL){ 18 | if(buf[strlen(buf)-1] !='\n'){ 19 | fprintf(stderr, "Length of the input string is too large\n"); 20 | exit(1); 21 | }else{ 22 | counter++; 23 | sscanf(buf,"%s %s",field1,field2); 24 | if (counter==1) Ninitial=atoi(field2); 25 | else if (counter==2) Corlength=atoi(field2); 26 | else if (counter==3) Ngap=atoi(field2); 27 | else if (counter==4) TFREQ=atoi(field2); 28 | else if (counter==5) dT=atof(field2); 29 | else if (counter==6) massW=atof(field2); 30 | else if (counter==7) massSe=atof(field2); 31 | } 32 | } 33 | } 34 | TNgapred=(int)Ngap/TFREQ; 35 | printf("reduced gap: %d\n",TNgapred); 36 | return; 37 | } 38 | 39 | static void readinput_data(char *filename,velocity_time **retval){ 40 | FILE *fp; 41 | int count=0,step=0; 42 | int ii=0; 43 | char buf[1024]; 44 | int igd,prev_id,itype; 45 | double rx,ry,rz; 46 | double *vx0,*vy0,*vz0,*vx1,*vy1,*vz1,*vx2,*vy2,*vz2; 47 | int i_counter[Natomtype+1]; 48 | velocity_time *atomvelocities[Natomtype+1]; 49 | 50 | fp=fopen(filename,"r"); 51 | if(fp==NULL){ 52 | fprintf(stderr,"Lammps dump file: %s doesnot exists.\n",filename); 53 | exit(1); 54 | } 55 | /*---initilizes the link list for velocities of atoms of different types and one for all atoms*/ 56 | for (ii=0;ii < Natomtype+1;ii++){ 57 | atomvelocities[ii]=(velocity_time *)malloc(sizeof(velocity_time)); 58 | list_init(atomvelocities[ii]); 59 | } 60 | /*-----read input velocities for 0th step-------*/ 61 | while (fgets(buf,sizeof(buf),fp) != NULL){ 62 | if(buf[strlen(buf)-1] !='\n'){ 63 | fprintf(stderr, "Length of the input string is too large\n"); 64 | exit(1); 65 | } 66 | count++; 67 | if (count <=3) continue; 68 | else if (count ==4) { 69 | sscanf(buf,"%d",&Natom[0]); 70 | vx0=(double *)malloc(Natom[0]*sizeof(double)); 71 | vy0=(double *)malloc(Natom[0]*sizeof(double)); 72 | vz0=(double *)malloc(Natom[0]*sizeof(double)); 73 | vx1=(double *)malloc(Natom[0]*sizeof(double)); 74 | vy1=(double *)malloc(Natom[0]*sizeof(double)); 75 | vz1=(double *)malloc(Natom[0]*sizeof(double)); 76 | vx2=(double *)malloc(Natom[0]*sizeof(double)); 77 | vy2=(double *)malloc(Natom[0]*sizeof(double)); 78 | vz2=(double *)malloc(Natom[0]*sizeof(double)); 79 | i_counter[0]=-1; 80 | i_counter[1]=-1; 81 | i_counter[2]=-1; 82 | } 83 | else if (count >=5 && count <=9) continue; 84 | else if (count>=10 && count <=9+Natom[0]){ 85 | if(count==10) sscanf(buf,"%d",&prev_id); 86 | if (count >= 10){ 87 | i_counter[0]++; 88 | sscanf(buf,"%d %d %lf %lf %lf %lf %lf %lf",&igd,&itype,&rx,&ry,&rz,&vx0[i_counter[0]],&vy0[i_counter[0]],&vz0[i_counter[0]]); 89 | if (igd < prev_id){ 90 | fprintf(stderr,"Data is not sorted\n"); 91 | exit(1); 92 | } 93 | i_counter[itype]++; 94 | if (itype==1) { 95 | vx1[i_counter[itype]]=vx0[i_counter[0]]; 96 | vy1[i_counter[itype]]=vy0[i_counter[0]]; 97 | vz1[i_counter[itype]]=vz0[i_counter[0]]; 98 | }else if (itype==2){ 99 | vx2[i_counter[itype]]=vx0[i_counter[0]]; 100 | vy2[i_counter[itype]]=vy0[i_counter[0]]; 101 | vz2[i_counter[itype]]=vz0[i_counter[0]]; 102 | } 103 | } 104 | if(count == 9+Natom[0]){ 105 | count=0; 106 | step++; 107 | //printf("step %d : \n",step); 108 | list_insert_tail(atomvelocities[0],vx0,vy0,vz0); 109 | list_insert_tail(atomvelocities[1],vx1,vy1,vz1); 110 | list_insert_tail(atomvelocities[2],vx2,vy2,vz2); 111 | } 112 | } 113 | } 114 | timestep=step; 115 | for (ii=0;ii < Natomtype+1;ii++){ 116 | Natom[ii]=i_counter[ii]+1; 117 | retval[ii]=atomvelocities[ii]; 118 | } 119 | return; 120 | } 121 | 122 | static double** init_velocity_corr_array(int n_rows,int n_column){ 123 | double **vel; 124 | int ii=0,jj=0; 125 | 126 | vel=(double **)malloc(n_rows*sizeof(double *)); 127 | 128 | for(ii=0;iivel_next_t; 140 | int count=0,nn,kk,mm,ii; 141 | int r_Corlength=(int)(Corlength/TFREQ); 142 | double **velocoor,**velocoorx,**velocoory,**velocoorz; 143 | double **Vint_x0,**Vint_y0,**Vint_z0; 144 | double *vx,*vy,*vz; 145 | double *Vcoorfinal,*Vcoorfinalx,*Vcoorfinaly,*Vcoorfinalz,*timeval; 146 | double vel_auto,vel_autox,vel_autoy,vel_autoz; 147 | double temp1,temp1_x,temp1_y,temp1_z; 148 | 149 | //initialize the parameters for the velocity autocorrelation 150 | velocoor=init_velocity_corr_array(Ninitial,r_Corlength); 151 | velocoorx=init_velocity_corr_array(Ninitial,r_Corlength); 152 | velocoory=init_velocity_corr_array(Ninitial,r_Corlength); 153 | velocoorz=init_velocity_corr_array(Ninitial,r_Corlength); 154 | Vint_x0=(double **)malloc(Ninitial*sizeof(double *)); 155 | Vint_y0=(double **)malloc(Ninitial*sizeof(double *)); 156 | Vint_z0=(double **)malloc(Ninitial*sizeof(double *)); 157 | Vcoorfinal=(double *)malloc(r_Corlength*sizeof(double)); 158 | Vcoorfinalx=(double *)malloc(r_Corlength*sizeof(double)); 159 | Vcoorfinaly=(double *)malloc(r_Corlength*sizeof(double)); 160 | Vcoorfinalz=(double *)malloc(r_Corlength*sizeof(double)); 161 | timeval=(double *)malloc(r_Corlength*sizeof(double)); 162 | 163 | //printf("inside velocity_corr %d\n",NFRAME); 164 | 165 | for(nn=0;nn=0 && (nn-kk*TNgapred) < r_Corlength){ 178 | mm=nn-kk*TNgapred; 179 | vel_auto=0; 180 | vel_autox=0; 181 | vel_autoy=0; 182 | vel_autoz=0; 183 | for(ii=0;iivel_next_t; 196 | } 197 | //Normalize the velocity auto-correlation value 198 | for(nn=0;nn timestep*TFREQ ) { 277 | fprintf(stderr,"Frame required %d is greater then available frames %d\n",Tlengthreg,timestep*TFREQ); 278 | exit(1); 279 | } 280 | } 281 | 282 | static void specificheat(double *freq,double *dos_total,double **cv_val,double **temperatures){ 283 | int t_range=(int)(Temp_max-Temp_min)/del_temp; 284 | double *temp_cv,*temp_temperature; 285 | double delomaga; 286 | double bottomval,topval,uu,utop,ubot; 287 | int tt,ii; 288 | 289 | delomaga=freq[1]-freq[0]; 290 | temp_cv=(double *)malloc(t_range*sizeof(double)); 291 | temp_temperature=(double *)malloc(t_range*sizeof(double)); 292 | 293 | for(tt=0;ttvel_t.vx=NULL; 37 | vel_list->vel_t.vy=NULL; 38 | vel_list->vel_t.vz=NULL; 39 | vel_list->vel_next_t=vel_list; 40 | vel_list->vel_prev_t=vel_list; 41 | } 42 | void list_insert_tail(velocity_time *vel_list,double *vx,double *vy,double *vz){ 43 | 44 | velocity_time *newvelocity_t,*tempval1; 45 | 46 | newvelocity_t=(struct velocity_series *)malloc(sizeof(velocity_time)); 47 | 48 | newvelocity_t->vel_t.vx=vx; 49 | newvelocity_t->vel_t.vy=vy; 50 | newvelocity_t->vel_t.vz=vz; 51 | newvelocity_t->vel_next_t=NULL; 52 | newvelocity_t->vel_prev_t=NULL; 53 | 54 | tempval1=vel_list->vel_prev_t; 55 | newvelocity_t->vel_next_t=vel_list; 56 | vel_list->vel_prev_t=newvelocity_t; 57 | newvelocity_t->vel_prev_t=tempval1; 58 | tempval1->vel_next_t=newvelocity_t; 59 | 60 | } 61 | 62 | void list_head(velocity_time *vel_list,double **vx,double **vy,double **vz){ 63 | // printf("vel %lf %lf %lf\n",vel_list->vel_next_t->vel_t.vx[0],vel_list->vel_next_t->vel_t.vy[0],vel_list->vel_next_t->vel_t.vz[0]); 64 | *vx=(vel_list->vel_next_t->vel_t.vx); 65 | *vy=(vel_list->vel_next_t->vel_t.vy); 66 | *vz=(vel_list->vel_next_t->vel_t.vz); 67 | return; 68 | } 69 | 70 | void list_next_element(velocity_time *vel_list,double **vx,double **vy,double **vz){ 71 | *vx=vel_list->vel_t.vx; 72 | *vy=vel_list->vel_t.vy; 73 | *vz=vel_list->vel_t.vz; 74 | return; 75 | } 76 | -------------------------------------------------------------------------------- /examples/dos/caldos.py: -------------------------------------------------------------------------------- 1 | import matplotlib.pyplot as plt 2 | import numpy as np 3 | import pandas as pd 4 | import linecache 5 | import os 6 | import subprocess 7 | import shlex 8 | import sys 9 | #Variables for plotting 10 | omega = '$\omega(meV)$' 11 | vacf_math = '$\\frac{\mathbb{E}[V_tV_0]}{\mathbb{E}[V_0V_0]}$' 12 | time = 'Time(ps)' 13 | dos_math = '$G(\omega)$' 14 | dos = 'Density of States' 15 | vacf = 'Velocity auto-correlation of atom' 16 | cv = 'Specific Heat($C_v$)' 17 | temp = 'Temperature(K)' 18 | 19 | #Filenames stored in a dict for ease of access 20 | p_files = {'VOC_typeA.txt':[time, vacf_math, vacf + ' 1'], 'VOC_typeB.txt':[time, vacf_math, vacf + ' 2'], 'PDOS_typeA.txt':[omega, dos_math, dos + ' Atom' + ' 1'], 'PDOS_typeB.txt':[omega, dos_math, dos + ' Atom' + ' 2'] } 21 | t_files ={'Specific_heat.txt':[temp, cv, 'Specific Heat'], 'DOS_total.txt':[omega, dos_math, dos]} 22 | 23 | 24 | def get_dos(filename): 25 | input="./dos"+" "+"dumpdos.nve"+" "+filename 26 | os.system('rm -f dos') 27 | os.system('gcc -lm -o dos ./dos.c') 28 | args=shlex.split(input) 29 | child_process=subprocess.Popen(args) 30 | child_process.wait() 31 | if child_process.returncode > 0 : 32 | print("-----error-------") 33 | sys.exit() 34 | else: 35 | print("----Successful-----") 36 | 37 | def showimage(filename, label1): 38 | inputdata = open(filename, 'r') 39 | xval=list(); 40 | yval=list(); 41 | for lines in inputdata: 42 | lines = lines.replace("\n", "").split() 43 | xval.append(float(lines[0])) 44 | yval.append(float(lines[1])) 45 | plt.plot(xval, yval, linewidth=2.5, label = label1) 46 | plt.legend(fontsize = 12) 47 | 48 | def plotsubplots(data, num1, num): 49 | for (i,j) in zip(data, range(1,num)): 50 | plt.subplot(num1,2,j) 51 | showimage(i, data[i][2]) 52 | plt.xlabel(data[i][0], fontsize=15) 53 | plt.ylabel(data[i][1], fontsize=25) 54 | plt.xticks(fontsize = 15) 55 | plt.yticks(fontsize = 15) 56 | plt.xlim(xmin=0) 57 | plt.show() 58 | 59 | get_dos('input.txt') 60 | plt.figure(figsize=(20,8)) 61 | plotsubplots(t_files,1,3) 62 | -------------------------------------------------------------------------------- /examples/dos/dos.c: -------------------------------------------------------------------------------- 1 | #include 2 | #include 3 | #include 4 | #include 5 | #include "dos.h" 6 | 7 | static void readinput_parameter(char *inputfilename){ 8 | FILE *fp; 9 | char buf[1024]; 10 | char field1[100],field2[100]; 11 | int counter=0; 12 | fp=fopen(inputfilename,"r"); 13 | if(fp==NULL){ 14 | fprintf(stderr,"input parameter file: input.txt doesnot exists\n"); 15 | exit(1); 16 | }else{ 17 | while(fgets(buf,sizeof(buf),fp) !=NULL){ 18 | if(buf[strlen(buf)-1] !='\n'){ 19 | fprintf(stderr, "Length of the input string is too large\n"); 20 | exit(1); 21 | }else{ 22 | counter++; 23 | sscanf(buf,"%s %s",field1,field2); 24 | if (counter==1) Ninitial=atoi(field2); 25 | else if (counter==2) Corlength=atoi(field2); 26 | else if (counter==3) Ngap=atoi(field2); 27 | else if (counter==4) TFREQ=atoi(field2); 28 | else if (counter==5) dT=atof(field2); 29 | else if (counter==6) massW=atof(field2); 30 | else if (counter==7) massSe=atof(field2); 31 | } 32 | } 33 | } 34 | TNgapred=(int)Ngap/TFREQ; 35 | printf("reduced gap: %d\n",TNgapred); 36 | return; 37 | } 38 | 39 | static void readinput_data(char *filename,velocity_time **retval){ 40 | FILE *fp; 41 | int count=0,step=0; 42 | int ii=0; 43 | char buf[1024]; 44 | int igd,prev_id,itype; 45 | double rx,ry,rz; 46 | double *vx0,*vy0,*vz0,*vx1,*vy1,*vz1,*vx2,*vy2,*vz2; 47 | int i_counter[Natomtype+1]; 48 | velocity_time *atomvelocities[Natomtype+1]; 49 | 50 | fp=fopen(filename,"r"); 51 | if(fp==NULL){ 52 | fprintf(stderr,"Lammps dump file: %s doesnot exists.\n",filename); 53 | exit(1); 54 | } 55 | /*---initilizes the link list for velocities of atoms of different types and one for all atoms*/ 56 | for (ii=0;ii < Natomtype+1;ii++){ 57 | atomvelocities[ii]=(velocity_time *)malloc(sizeof(velocity_time)); 58 | list_init(atomvelocities[ii]); 59 | } 60 | /*-----read input velocities for 0th step-------*/ 61 | while (fgets(buf,sizeof(buf),fp) != NULL){ 62 | if(buf[strlen(buf)-1] !='\n'){ 63 | fprintf(stderr, "Length of the input string is too large\n"); 64 | exit(1); 65 | } 66 | count++; 67 | if (count <=3) continue; 68 | else if (count ==4) { 69 | sscanf(buf,"%d",&Natom[0]); 70 | vx0=(double *)malloc(Natom[0]*sizeof(double)); 71 | vy0=(double *)malloc(Natom[0]*sizeof(double)); 72 | vz0=(double *)malloc(Natom[0]*sizeof(double)); 73 | vx1=(double *)malloc(Natom[0]*sizeof(double)); 74 | vy1=(double *)malloc(Natom[0]*sizeof(double)); 75 | vz1=(double *)malloc(Natom[0]*sizeof(double)); 76 | vx2=(double *)malloc(Natom[0]*sizeof(double)); 77 | vy2=(double *)malloc(Natom[0]*sizeof(double)); 78 | vz2=(double *)malloc(Natom[0]*sizeof(double)); 79 | i_counter[0]=-1; 80 | i_counter[1]=-1; 81 | i_counter[2]=-1; 82 | } 83 | else if (count >=5 && count <=9) continue; 84 | else if (count>=10 && count <=9+Natom[0]){ 85 | if(count==10) sscanf(buf,"%d",&prev_id); 86 | if (count >= 10){ 87 | i_counter[0]++; 88 | sscanf(buf,"%d %d %lf %lf %lf %lf %lf %lf",&igd,&itype,&rx,&ry,&rz,&vx0[i_counter[0]],&vy0[i_counter[0]],&vz0[i_counter[0]]); 89 | if (igd < prev_id){ 90 | fprintf(stderr,"Data is not sorted\n"); 91 | exit(1); 92 | } 93 | i_counter[itype]++; 94 | if (itype==1) { 95 | vx1[i_counter[itype]]=vx0[i_counter[0]]; 96 | vy1[i_counter[itype]]=vy0[i_counter[0]]; 97 | vz1[i_counter[itype]]=vz0[i_counter[0]]; 98 | }else if (itype==2){ 99 | vx2[i_counter[itype]]=vx0[i_counter[0]]; 100 | vy2[i_counter[itype]]=vy0[i_counter[0]]; 101 | vz2[i_counter[itype]]=vz0[i_counter[0]]; 102 | } 103 | } 104 | if(count == 9+Natom[0]){ 105 | count=0; 106 | step++; 107 | //printf("step %d : \n",step); 108 | list_insert_tail(atomvelocities[0],vx0,vy0,vz0); 109 | list_insert_tail(atomvelocities[1],vx1,vy1,vz1); 110 | list_insert_tail(atomvelocities[2],vx2,vy2,vz2); 111 | } 112 | } 113 | } 114 | timestep=step; 115 | for (ii=0;ii < Natomtype+1;ii++){ 116 | Natom[ii]=i_counter[ii]+1; 117 | retval[ii]=atomvelocities[ii]; 118 | } 119 | return; 120 | } 121 | 122 | static double** init_velocity_corr_array(int n_rows,int n_column){ 123 | double **vel; 124 | int ii=0,jj=0; 125 | 126 | vel=(double **)malloc(n_rows*sizeof(double *)); 127 | 128 | for(ii=0;iivel_next_t; 140 | int count=0,nn,kk,mm,ii; 141 | int r_Corlength=(int)(Corlength/TFREQ); 142 | double **velocoor,**velocoorx,**velocoory,**velocoorz; 143 | double **Vint_x0,**Vint_y0,**Vint_z0; 144 | double *vx,*vy,*vz; 145 | double *Vcoorfinal,*Vcoorfinalx,*Vcoorfinaly,*Vcoorfinalz,*timeval; 146 | double vel_auto,vel_autox,vel_autoy,vel_autoz; 147 | double temp1,temp1_x,temp1_y,temp1_z; 148 | 149 | //initialize the parameters for the velocity autocorrelation 150 | velocoor=init_velocity_corr_array(Ninitial,r_Corlength); 151 | velocoorx=init_velocity_corr_array(Ninitial,r_Corlength); 152 | velocoory=init_velocity_corr_array(Ninitial,r_Corlength); 153 | velocoorz=init_velocity_corr_array(Ninitial,r_Corlength); 154 | Vint_x0=(double **)malloc(Ninitial*sizeof(double *)); 155 | Vint_y0=(double **)malloc(Ninitial*sizeof(double *)); 156 | Vint_z0=(double **)malloc(Ninitial*sizeof(double *)); 157 | Vcoorfinal=(double *)malloc(r_Corlength*sizeof(double)); 158 | Vcoorfinalx=(double *)malloc(r_Corlength*sizeof(double)); 159 | Vcoorfinaly=(double *)malloc(r_Corlength*sizeof(double)); 160 | Vcoorfinalz=(double *)malloc(r_Corlength*sizeof(double)); 161 | timeval=(double *)malloc(r_Corlength*sizeof(double)); 162 | 163 | //printf("inside velocity_corr %d\n",NFRAME); 164 | 165 | for(nn=0;nn=0 && (nn-kk*TNgapred) < r_Corlength){ 178 | mm=nn-kk*TNgapred; 179 | vel_auto=0; 180 | vel_autox=0; 181 | vel_autoy=0; 182 | vel_autoz=0; 183 | for(ii=0;iivel_next_t; 196 | } 197 | //Normalize the velocity auto-correlation value 198 | for(nn=0;nn timestep*TFREQ ) { 277 | fprintf(stderr,"Frame required %d is greater then available frames %d\n",Tlengthreg,timestep*TFREQ); 278 | exit(1); 279 | } 280 | } 281 | 282 | static void specificheat(double *freq,double *dos_total,double **cv_val,double **temperatures){ 283 | int t_range=(int)(Temp_max-Temp_min)/del_temp; 284 | double *temp_cv,*temp_temperature; 285 | double delomaga; 286 | double bottomval,topval,uu,utop,ubot; 287 | int tt,ii; 288 | 289 | delomaga=freq[1]-freq[0]; 290 | temp_cv=(double *)malloc(t_range*sizeof(double)); 291 | temp_temperature=(double *)malloc(t_range*sizeof(double)); 292 | 293 | for(tt=0;ttvel_t.vx=NULL; 37 | vel_list->vel_t.vy=NULL; 38 | vel_list->vel_t.vz=NULL; 39 | vel_list->vel_next_t=vel_list; 40 | vel_list->vel_prev_t=vel_list; 41 | } 42 | void list_insert_tail(velocity_time *vel_list,double *vx,double *vy,double *vz){ 43 | 44 | velocity_time *newvelocity_t,*tempval1; 45 | 46 | newvelocity_t=(struct velocity_series *)malloc(sizeof(velocity_time)); 47 | 48 | newvelocity_t->vel_t.vx=vx; 49 | newvelocity_t->vel_t.vy=vy; 50 | newvelocity_t->vel_t.vz=vz; 51 | newvelocity_t->vel_next_t=NULL; 52 | newvelocity_t->vel_prev_t=NULL; 53 | 54 | tempval1=vel_list->vel_prev_t; 55 | newvelocity_t->vel_next_t=vel_list; 56 | vel_list->vel_prev_t=newvelocity_t; 57 | newvelocity_t->vel_prev_t=tempval1; 58 | tempval1->vel_next_t=newvelocity_t; 59 | 60 | } 61 | 62 | void list_head(velocity_time *vel_list,double **vx,double **vy,double **vz){ 63 | // printf("vel %lf %lf %lf\n",vel_list->vel_next_t->vel_t.vx[0],vel_list->vel_next_t->vel_t.vy[0],vel_list->vel_next_t->vel_t.vz[0]); 64 | *vx=(vel_list->vel_next_t->vel_t.vx); 65 | *vy=(vel_list->vel_next_t->vel_t.vy); 66 | *vz=(vel_list->vel_next_t->vel_t.vz); 67 | return; 68 | } 69 | 70 | void list_next_element(velocity_time *vel_list,double **vx,double **vy,double **vz){ 71 | *vx=vel_list->vel_t.vx; 72 | *vy=vel_list->vel_t.vy; 73 | *vz=vel_list->vel_t.vz; 74 | return; 75 | } 76 | -------------------------------------------------------------------------------- /examples/scaling/L_scale1000.txt: -------------------------------------------------------------------------------- 1 | # Spatial-averaged data for fix 6b and group all 2 | # Timestep Number-of-bins 3 | # Bin Coord Ncount v_atemp 4 | 500000 51 5 | 1 9.07979 675.631 299.303 6 | 2 29.0798 702 300.874 7 | 3 49.0798 651.939 301.602 8 | 4 69.0798 698.061 303.916 9 | 5 89.0798 701.924 304.788 10 | 6 109.08 648.107 306.16 11 | 7 129.08 701.969 306.178 12 | 8 149.08 697.221 306.986 13 | 9 169.08 652.779 308.646 14 | 10 189.08 702 309.856 15 | 11 209.08 668.585 311.755 16 | 12 229.08 681.415 314.529 17 | 13 249.08 701.995 319.015 18 | 14 269.08 650.557 314.393 19 | 15 289.08 699.448 311.015 20 | 16 309.08 701.776 309.896 21 | 17 329.08 648.261 308.649 22 | 18 349.08 701.962 307.361 23 | 19 369.08 696.195 305.372 24 | 20 389.08 653.805 304.979 25 | 21 409.08 702 303.679 26 | 22 429.08 663.194 303.329 27 | 23 449.08 686.806 301.935 28 | 24 469.08 701.995 302.014 29 | 25 489.08 649.161 301.074 30 | 26 509.08 700.844 300.371 31 | 27 529.08 701.601 300.006 32 | 28 549.08 648.415 299.206 33 | 29 569.08 701.983 297.618 34 | 30 589.08 692.229 296.444 35 | 31 609.08 657.771 295.259 36 | 32 629.08 702 294.533 37 | 33 649.08 657.751 293.522 38 | 34 669.08 692.249 293.319 39 | 35 689.08 701.994 291.479 40 | 36 709.08 648.693 290.61 41 | 37 729.08 701.313 287.502 42 | 38 749.08 700.07 282.859 43 | 39 769.08 649.936 286.667 44 | 40 789.08 701.994 289.315 45 | 41 809.08 686.633 291.407 46 | 42 829.08 663.367 293.359 47 | 43 849.08 702 295.068 48 | 44 869.08 655.086 296.575 49 | 45 889.08 694.914 296.555 50 | 46 909.08 701.968 296.084 51 | 47 929.08 648.218 296.54 52 | 48 949.08 701.814 297.258 53 | 49 969.08 699.665 298.15 54 | 50 989.08 650.343 298.13 55 | 51 1009.08 26.3605 298.734 56 | 1000000 51 57 | 1 9.07979 676.823 301.14 58 | 2 29.0798 701.999 301.931 59 | 3 49.0798 651.23 303.006 60 | 4 69.0798 698.771 302.818 61 | 5 89.0798 701.896 303.843 62 | 6 109.08 648.125 305.206 63 | 7 129.08 701.978 306.057 64 | 8 149.08 695.846 306.617 65 | 9 169.08 654.154 308.58 66 | 10 189.08 702 309.957 67 | 11 209.08 666.745 311.268 68 | 12 229.08 683.255 314.12 69 | 13 249.08 701.988 318.749 70 | 14 269.08 650.217 314.058 71 | 15 289.08 699.796 310.914 72 | 16 309.08 701.633 309.687 73 | 17 329.08 648.412 309.124 74 | 18 349.08 701.955 307.617 75 | 19 369.08 695.155 306.175 76 | 20 389.08 654.845 305.638 77 | 21 409.08 702 304.869 78 | 22 429.08 663.544 304.127 79 | 23 449.08 686.456 302.413 80 | 24 469.08 701.993 300.551 81 | 25 489.08 649.684 300.116 82 | 26 509.08 700.323 299.946 83 | 27 529.08 701.574 299.718 84 | 28 549.08 648.444 299.08 85 | 29 569.08 701.982 298.015 86 | 30 589.08 693.455 297.756 87 | 31 609.08 656.545 296.493 88 | 32 629.08 702 295.802 89 | 33 649.08 659.541 294.545 90 | 34 669.08 690.459 293.545 91 | 35 689.08 701.994 291.807 92 | 36 709.08 648.801 289.789 93 | 37 729.08 701.206 287.451 94 | 38 749.08 700.603 282.204 95 | 39 769.08 649.406 286.162 96 | 40 789.08 701.991 288.865 97 | 41 809.08 687.786 290.353 98 | 42 829.08 662.214 292.787 99 | 43 849.08 702 293.34 100 | 44 869.08 655.385 294.038 101 | 45 889.08 694.615 295.92 102 | 46 909.08 701.975 296.85 103 | 47 929.08 648.231 297.011 104 | 48 949.08 701.794 297.114 105 | 49 969.08 699.724 297.884 106 | 50 989.08 650.278 299.944 107 | 51 1009.08 25.1754 299.486 108 | 1500000 51 109 | 1 9.07979 675.845 299.765 110 | 2 29.0798 701.999 301.255 111 | 3 49.0798 651.867 302.643 112 | 4 69.0798 698.134 303.456 113 | 5 89.0798 701.916 304.833 114 | 6 109.08 648.11 306.069 115 | 7 129.08 701.974 306.672 116 | 8 149.08 696.467 307.177 117 | 9 169.08 653.534 308.486 118 | 10 189.08 701.998 309.904 119 | 11 209.08 669.339 311.881 120 | 12 229.08 680.661 315.447 121 | 13 249.08 701.98 319.618 122 | 14 269.08 650.656 314.61 123 | 15 289.08 699.364 312.721 124 | 16 309.08 701.72 311.685 125 | 17 329.08 648.336 310.282 126 | 18 349.08 701.944 308.013 127 | 19 369.08 694.945 307.512 128 | 20 389.08 655.055 306.498 129 | 21 409.08 702 305.245 130 | 22 429.08 663.018 305.1 131 | 23 449.08 686.982 303.06 132 | 24 469.08 701.991 302.758 133 | 25 489.08 649.252 301.125 134 | 26 509.08 700.757 299.786 135 | 27 529.08 701.543 298.689 136 | 28 549.08 648.47 297.982 137 | 29 569.08 701.987 297.448 138 | 30 589.08 692.24 297.486 139 | 31 609.08 657.76 296.485 140 | 32 629.08 702 295.186 141 | 33 649.08 658.531 294.147 142 | 34 669.08 691.469 291.967 143 | 35 689.08 701.981 290.799 144 | 36 709.08 648.859 287.97 145 | 37 729.08 701.16 286.492 146 | 38 749.08 700.03 281.996 147 | 39 769.08 649.975 284.931 148 | 40 789.08 701.996 288.307 149 | 41 809.08 687.036 290.868 150 | 42 829.08 662.964 290.981 151 | 43 849.08 702 292.781 152 | 44 869.08 655.68 293.409 153 | 45 889.08 694.32 294.511 154 | 46 909.08 701.967 295.76 155 | 47 929.08 648.225 296.437 156 | 48 949.08 701.808 297.068 157 | 49 969.08 699.612 298.858 158 | 50 989.08 650.394 298.961 159 | 51 1009.08 26.1485 300.632 160 | 2000000 51 161 | 1 9.07979 675.675 300.248 162 | 2 29.0798 702 301.903 163 | 3 49.0798 651.632 302.496 164 | 4 69.0798 698.368 303.126 165 | 5 89.0798 701.919 304.377 166 | 6 109.08 648.11 305.117 167 | 7 129.08 701.971 305.759 168 | 8 149.08 696.274 306.823 169 | 9 169.08 653.726 307.274 170 | 10 189.08 702 309.457 171 | 11 209.08 668.566 310.889 172 | 12 229.08 681.434 314.218 173 | 13 249.08 701.985 318.061 174 | 14 269.08 650.695 313.981 175 | 15 289.08 699.32 310.561 176 | 16 309.08 701.57 310.151 177 | 17 329.08 648.488 308.261 178 | 18 349.08 701.942 308.027 179 | 19 369.08 694.305 305.908 180 | 20 389.08 655.695 304.801 181 | 21 409.08 702 304.58 182 | 22 429.08 663.03 303.499 183 | 23 449.08 686.97 302.729 184 | 24 469.08 701.978 301.454 185 | 25 489.08 649.265 300.814 186 | 26 509.08 700.758 300.344 187 | 27 529.08 701.602 299.907 188 | 28 549.08 648.425 297.941 189 | 29 569.08 701.972 297.92 190 | 30 589.08 692.63 296.886 191 | 31 609.08 657.37 296.183 192 | 32 629.08 702 295.801 193 | 33 649.08 658.909 294.037 194 | 34 669.08 691.091 292.907 195 | 35 689.08 701.989 292.092 196 | 36 709.08 649.117 290.65 197 | 37 729.08 700.894 288.231 198 | 38 749.08 700.309 283.297 199 | 39 769.08 649.712 286.248 200 | 40 789.08 701.979 289.423 201 | 41 809.08 686.684 290.826 202 | 42 829.08 663.316 292.542 203 | 43 849.08 702 294.098 204 | 44 869.08 656.327 294.759 205 | 45 889.08 693.673 295.802 206 | 46 909.08 701.962 296.999 207 | 47 929.08 648.237 297.99 208 | 48 949.08 701.801 298.107 209 | 49 969.08 699.73 298.341 210 | 50 989.08 650.273 299.166 211 | 51 1009.08 26.3217 299.439 212 | 2500000 51 213 | 1 9.07979 676.047 301.995 214 | 2 29.0798 702 302.096 215 | 3 49.0798 651.803 302.854 216 | 4 69.0798 698.197 303.234 217 | 5 89.0798 701.892 304.489 218 | 6 109.08 648.139 304.968 219 | 7 129.08 701.969 306.45 220 | 8 149.08 695.455 307.886 221 | 9 169.08 654.546 309.526 222 | 10 189.08 702 310.473 223 | 11 209.08 667.852 311.993 224 | 12 229.08 682.148 314.099 225 | 13 249.08 701.989 318.283 226 | 14 269.08 651.322 314.507 227 | 15 289.08 698.689 312.052 228 | 16 309.08 701.52 309.787 229 | 17 329.08 648.545 309.031 230 | 18 349.08 701.934 307.429 231 | 19 369.08 694.277 306.281 232 | 20 389.08 655.723 304.62 233 | 21 409.08 702 303.273 234 | 22 429.08 664.126 302.776 235 | 23 449.08 685.874 301.905 236 | 24 469.08 701.989 301.141 237 | 25 489.08 649.525 300.174 238 | 26 509.08 700.486 298.827 239 | 27 529.08 701.594 298.327 240 | 28 549.08 648.436 297.019 241 | 29 569.08 701.969 296.691 242 | 30 589.08 692.511 295.26 243 | 31 609.08 657.489 295.251 244 | 32 629.08 702 295.289 245 | 33 649.08 659.214 294.522 246 | 34 669.08 690.786 292.829 247 | 35 689.08 701.987 291.284 248 | 36 709.08 649.165 289.208 249 | 37 729.08 700.848 285.87 250 | 38 749.08 700.273 281.912 251 | 39 769.08 649.755 286.39 252 | 40 789.08 701.972 288.685 253 | 41 809.08 686.474 290.531 254 | 42 829.08 663.526 292.356 255 | 43 849.08 702 293.773 256 | 44 869.08 656.371 295.681 257 | 45 889.08 693.629 296.74 258 | 46 909.08 701.946 297.084 259 | 47 929.08 648.273 298.339 260 | 48 949.08 701.781 299.594 261 | 49 969.08 699.602 300.998 262 | 50 989.08 650.399 301.434 263 | 51 1009.08 25.9512 302.013 264 | 3000000 51 265 | 1 9.07979 675.732 300.678 266 | 2 29.0798 701.998 302.4 267 | 3 49.0798 652.272 303.003 268 | 4 69.0798 697.73 303.292 269 | 5 89.0798 701.822 304.116 270 | 6 109.08 648.227 304.885 271 | 7 129.08 701.951 306.091 272 | 8 149.08 695.31 307.121 273 | 9 169.08 654.691 307.822 274 | 10 189.08 701.999 309.323 275 | 11 209.08 669.559 311.3 276 | 12 229.08 680.441 314.169 277 | 13 249.08 701.975 318.951 278 | 14 269.08 651.078 315.243 279 | 15 289.08 698.947 312.345 280 | 16 309.08 701.697 309.408 281 | 17 329.08 648.356 308.097 282 | 18 349.08 701.947 306.757 283 | 19 369.08 694.957 306.17 284 | 20 389.08 655.043 305.77 285 | 21 409.08 702 304.727 286 | 22 429.08 663.797 303.803 287 | 23 449.08 686.203 302.99 288 | 24 469.08 701.993 302.241 289 | 25 489.08 649.181 301.833 290 | 26 509.08 700.826 301.337 291 | 27 529.08 701.488 299.649 292 | 28 549.08 648.536 299.337 293 | 29 569.08 701.976 298.152 294 | 30 589.08 691.246 296.732 295 | 31 609.08 658.754 295.895 296 | 32 629.08 702 295.088 297 | 33 649.08 659.452 293.724 298 | 34 669.08 690.548 291.399 299 | 35 689.08 701.978 290.842 300 | 36 709.08 649.154 289.86 301 | 37 729.08 700.868 286.918 302 | 38 749.08 699.736 283.093 303 | 39 769.08 650.272 286.52 304 | 40 789.08 701.992 288.569 305 | 41 809.08 685.999 290.475 306 | 42 829.08 664.001 291.665 307 | 43 849.08 702 293.552 308 | 44 869.08 655.567 294.404 309 | 45 889.08 694.433 295.064 310 | 46 909.08 701.971 296.301 311 | 47 929.08 648.241 297.381 312 | 48 949.08 701.788 298.224 313 | 49 969.08 699.495 298.56 314 | 50 989.08 650.507 300.176 315 | 51 1009.08 26.2656 300.512 316 | 3500000 51 317 | 1 9.07979 675.88 301.218 318 | 2 29.0798 701.998 302.122 319 | 3 49.0798 652.586 302.818 320 | 4 69.0798 697.416 302.664 321 | 5 89.0798 701.786 303.241 322 | 6 109.08 648.258 304.862 323 | 7 129.08 701.956 306.451 324 | 8 149.08 695.078 307.531 325 | 9 169.08 654.922 308.158 326 | 10 189.08 702 310.018 327 | 11 209.08 668.282 311.651 328 | 12 229.08 681.718 314.101 329 | 13 249.08 701.992 317.921 330 | 14 269.08 650.244 314.816 331 | 15 289.08 699.764 312.283 332 | 16 309.08 701.758 310.826 333 | 17 329.08 648.274 309.394 334 | 18 349.08 701.969 308.184 335 | 19 369.08 694.9 307.553 336 | 20 389.08 655.1 306.484 337 | 21 409.08 702 304.747 338 | 22 429.08 663.063 302.892 339 | 23 449.08 686.937 302.263 340 | 24 469.08 701.984 301.19 341 | 25 489.08 649.692 300.154 342 | 26 509.08 700.324 299.249 343 | 27 529.08 701.295 298.544 344 | 28 549.08 648.748 297.578 345 | 29 569.08 701.956 296.309 346 | 30 589.08 691.312 296.16 347 | 31 609.08 658.688 295.408 348 | 32 629.08 702 295.032 349 | 33 649.08 659.944 292.713 350 | 34 669.08 690.056 291.744 351 | 35 689.08 701.986 290.706 352 | 36 709.08 649.112 289.653 353 | 37 729.08 700.902 287.637 354 | 38 749.08 700.6 283.086 355 | 39 769.08 649.407 286.384 356 | 40 789.08 701.993 288.389 357 | 41 809.08 687.72 291.644 358 | 42 829.08 662.28 292.732 359 | 43 849.08 702 293.895 360 | 44 869.08 655.694 295.41 361 | 45 889.08 694.306 296.196 362 | 46 909.08 701.973 297.739 363 | 47 929.08 648.264 297.744 364 | 48 949.08 701.762 298.54 365 | 49 969.08 699.252 299.15 366 | 50 989.08 650.754 300.342 367 | 51 1009.08 26.1144 301.14 368 | 4000000 51 369 | 1 9.07979 676.087 300.691 370 | 2 29.0798 701.999 301.865 371 | 3 49.0798 652.004 301.632 372 | 4 69.0798 697.997 302.254 373 | 5 89.0798 701.902 304.328 374 | 6 109.08 648.122 304.483 375 | 7 129.08 701.976 305.109 376 | 8 149.08 696.605 306.598 377 | 9 169.08 653.395 307.615 378 | 10 189.08 701.999 309.025 379 | 11 209.08 668.148 311.577 380 | 12 229.08 681.852 312.916 381 | 13 249.08 701.99 317.937 382 | 14 269.08 651.157 313.992 383 | 15 289.08 698.853 312.707 384 | 16 309.08 701.49 310.644 385 | 17 329.08 648.613 309.344 386 | 18 349.08 701.897 308.064 387 | 19 369.08 693.966 307.23 388 | 20 389.08 656.034 305.407 389 | 21 409.08 702 304.788 390 | 22 429.08 665.498 303.124 391 | 23 449.08 684.502 302.444 392 | 24 469.08 701.957 301.37 393 | 25 489.08 649.88 300.646 394 | 26 509.08 700.163 299.437 395 | 27 529.08 701.368 298.587 396 | 28 549.08 648.659 298.542 397 | 29 569.08 701.973 297.673 398 | 30 589.08 692.635 296.22 399 | 31 609.08 657.365 296.259 400 | 32 629.08 702 295.439 401 | 33 649.08 658.212 294.188 402 | 34 669.08 691.788 293.193 403 | 35 689.08 701.991 291.284 404 | 36 709.08 648.857 290.081 405 | 37 729.08 701.152 287.144 406 | 38 749.08 700.409 283.622 407 | 39 769.08 649.615 286.632 408 | 40 789.08 701.976 289.585 409 | 41 809.08 685.463 291.27 410 | 42 829.08 664.537 292.509 411 | 43 849.08 702 294.113 412 | 44 869.08 657.008 295.485 413 | 45 889.08 692.992 295.708 414 | 46 909.08 701.913 296.798 415 | 47 929.08 648.388 297.381 416 | 48 949.08 701.699 298.974 417 | 49 969.08 698.484 299.741 418 | 50 989.08 651.521 299.988 419 | 51 1009.08 25.9077 298.984 420 | 4500000 51 421 | 1 9.07979 675.725 300.064 422 | 2 29.0798 701.998 301.392 423 | 3 49.0798 651.959 302.738 424 | 4 69.0798 698.043 303.712 425 | 5 89.0798 701.904 303.928 426 | 6 109.08 648.157 305.058 427 | 7 129.08 701.939 306.24 428 | 8 149.08 695.369 307.233 429 | 9 169.08 654.632 308.328 430 | 10 189.08 701.998 309.792 431 | 11 209.08 669.108 311.909 432 | 12 229.08 680.892 313.416 433 | 13 249.08 701.981 318.617 434 | 14 269.08 651.871 314.287 435 | 15 289.08 698.147 312.726 436 | 16 309.08 701.467 311.32 437 | 17 329.08 648.625 310.829 438 | 18 349.08 701.909 308.532 439 | 19 369.08 694.591 306.617 440 | 20 389.08 655.409 305.233 441 | 21 409.08 702 303.475 442 | 22 429.08 664.143 302.971 443 | 23 449.08 685.857 302.403 444 | 24 469.08 701.991 301.862 445 | 25 489.08 649.091 301.078 446 | 26 509.08 700.919 299.524 447 | 27 529.08 701.502 299.124 448 | 28 549.08 648.521 298.444 449 | 29 569.08 701.978 297.661 450 | 30 589.08 691.597 296.361 451 | 31 609.08 658.403 296.029 452 | 32 629.08 702 295.015 453 | 33 649.08 659.674 294.571 454 | 34 669.08 690.326 293.089 455 | 35 689.08 701.975 292.367 456 | 36 709.08 649.302 291.035 457 | 37 729.08 700.723 287.55 458 | 38 749.08 699.521 283.042 459 | 39 769.08 650.496 287.509 460 | 40 789.08 701.983 289.001 461 | 41 809.08 685.114 290.954 462 | 42 829.08 664.886 291.94 463 | 43 849.08 702 293.304 464 | 44 869.08 656.59 293.992 465 | 45 889.08 693.41 294.986 466 | 46 909.08 701.948 295.937 467 | 47 929.08 648.246 296.271 468 | 48 949.08 701.806 297.273 469 | 49 969.08 699.456 298.094 470 | 50 989.08 650.546 299.08 471 | 51 1009.08 26.2735 299.048 472 | 5000000 51 473 | 1 9.07979 676.226 300.798 474 | 2 29.0798 701.998 301.134 475 | 3 49.0798 653.039 302.096 476 | 4 69.0798 696.963 303.35 477 | 5 89.0798 701.843 303.917 478 | 6 109.08 648.247 304.46 479 | 7 129.08 701.91 306.621 480 | 8 149.08 694.59 308.139 481 | 9 169.08 655.41 309.556 482 | 10 189.08 701.999 310.368 483 | 11 209.08 667.522 312.565 484 | 12 229.08 682.478 314.863 485 | 13 249.08 701.991 318.783 486 | 14 269.08 650.059 314.184 487 | 15 289.08 699.95 311.479 488 | 16 309.08 701.656 309.94 489 | 17 329.08 648.373 308.816 490 | 18 349.08 701.971 307.229 491 | 19 369.08 695.188 305.872 492 | 20 389.08 654.812 304.096 493 | 21 409.08 702 303.131 494 | 22 429.08 663.258 302.259 495 | 23 449.08 686.742 300.638 496 | 24 469.08 701.975 300.555 497 | 25 489.08 650.021 300.288 498 | 26 509.08 700.003 299.664 499 | 27 529.08 701.059 299.394 500 | 28 549.08 649.009 298.497 501 | 29 569.08 701.931 297.832 502 | 30 589.08 691.105 297.267 503 | 31 609.08 658.895 295.673 504 | 32 629.08 702 294.599 505 | 33 649.08 660.73 293.645 506 | 34 669.08 689.27 292.732 507 | 35 689.08 701.978 292.111 508 | 36 709.08 649.107 289.735 509 | 37 729.08 700.915 286.824 510 | 38 749.08 700.597 282.6 511 | 39 769.08 649.412 286.362 512 | 40 789.08 701.99 289.351 513 | 41 809.08 687.926 291.214 514 | 42 829.08 662.074 292.997 515 | 43 849.08 702 294.422 516 | 44 869.08 655.615 295.363 517 | 45 889.08 694.385 296.476 518 | 46 909.08 701.979 297.066 519 | 47 929.08 648.217 297.381 520 | 48 949.08 701.804 298.455 521 | 49 969.08 699.196 300.068 522 | 50 989.08 650.813 300.889 523 | 51 1009.08 25.7652 300.773 524 | -------------------------------------------------------------------------------- /examples/scaling/L_scale600.txt: -------------------------------------------------------------------------------- 1 | # Spatial-averaged data for fix 6b and group all 2 | # Timestep Number-of-bins 3 | # Bin Coord Ncount v_atemp 4 | 500000 31 5 | 1 9.42391 674.738 300.761 6 | 2 29.4239 702 301.97 7 | 3 49.4239 649.994 302.88 8 | 4 69.4239 700.006 305.029 9 | 5 89.4239 701.691 306.942 10 | 6 109.424 648.38 308.549 11 | 7 129.424 701.929 309.914 12 | 8 149.424 696.601 314.563 13 | 9 169.424 653.399 310.725 14 | 10 189.424 702 308.399 15 | 11 209.424 665.576 306.131 16 | 12 229.424 684.424 304.49 17 | 13 249.424 701.991 302.809 18 | 14 269.424 649.63 302.418 19 | 15 289.424 700.379 300.936 20 | 16 309.424 701.582 299.168 21 | 17 329.424 648.423 298.821 22 | 18 349.424 701.996 297.87 23 | 19 369.424 689.628 297.336 24 | 20 389.424 660.372 295.708 25 | 21 409.424 702 293.655 26 | 22 429.424 659.193 290.861 27 | 23 449.424 690.807 286.276 28 | 24 469.424 701.997 290.311 29 | 25 489.424 648.232 292.45 30 | 26 509.424 701.771 295.292 31 | 27 529.424 700 296.876 32 | 28 549.424 650.003 296.842 33 | 29 569.424 701.997 297.488 34 | 30 589.424 681.757 299.536 35 | 31 609.424 47.5053 300.611 36 | 1000000 31 37 | 1 9.42391 674.863 300.922 38 | 2 29.4239 702 302.494 39 | 3 49.4239 650.601 302.913 40 | 4 69.4239 699.399 304.503 41 | 5 89.4239 701.595 306.029 42 | 6 109.424 648.466 306.761 43 | 7 129.424 701.939 310.131 44 | 8 149.424 695.905 315.257 45 | 9 169.424 654.096 310.671 46 | 10 189.424 702 308.275 47 | 11 209.424 665.78 307.057 48 | 12 229.424 684.22 305.521 49 | 13 249.424 701.993 304.642 50 | 14 269.424 649.308 302.886 51 | 15 289.424 700.699 302.051 52 | 16 309.424 701.607 300.946 53 | 17 329.424 648.404 300.276 54 | 18 349.424 701.989 298.566 55 | 19 369.424 688.881 296.81 56 | 20 389.424 661.119 295.835 57 | 21 409.424 702 292.914 58 | 22 429.424 659.52 290.553 59 | 23 449.424 690.48 285.985 60 | 24 469.424 701.994 289.447 61 | 25 489.424 648.449 291.933 62 | 26 509.424 701.557 294.098 63 | 27 529.424 700.22 295.181 64 | 28 549.424 649.781 296.412 65 | 29 569.424 701.999 297.64 66 | 30 589.424 681.981 298.495 67 | 31 609.424 47.1557 299.542 68 | 1500000 31 69 | 1 9.42391 675.13 301.307 70 | 2 29.4239 702 302.432 71 | 3 49.4239 651.227 304.405 72 | 4 69.4239 698.773 305.131 73 | 5 89.4239 701.78 305.978 74 | 6 109.424 648.258 307.625 75 | 7 129.424 701.961 309.719 76 | 8 149.424 696.371 314.341 77 | 9 169.424 653.629 310.475 78 | 10 189.424 702 307.837 79 | 11 209.424 665.908 305.399 80 | 12 229.424 684.092 304.26 81 | 13 249.424 701.995 303.597 82 | 14 269.424 649.161 302.946 83 | 15 289.424 700.844 301.139 84 | 16 309.424 701.481 299.786 85 | 17 329.424 648.54 298.411 86 | 18 349.424 701.979 297.231 87 | 19 369.424 689.234 295.73 88 | 20 389.424 660.766 294.571 89 | 21 409.424 702 293.94 90 | 22 429.424 658.257 291.15 91 | 23 449.424 691.743 286.355 92 | 24 469.424 701.995 291.09 93 | 25 489.424 648.422 293.725 94 | 26 509.424 701.583 295.412 95 | 27 529.424 700.493 296.602 96 | 28 549.424 649.509 297.079 97 | 29 569.424 701.999 298.003 98 | 30 589.424 681.623 299.782 99 | 31 609.424 47.2477 299.785 100 | 2000000 31 101 | 1 9.42391 675.964 300.556 102 | 2 29.4239 701.999 302.664 103 | 3 49.4239 650.861 303.997 104 | 4 69.4239 699.139 304.62 105 | 5 89.4239 701.777 306.562 106 | 6 109.424 648.247 308.218 107 | 7 129.424 701.976 310.331 108 | 8 149.424 695.961 314.16 109 | 9 169.424 654.039 310.112 110 | 10 189.424 702 307.51 111 | 11 209.424 666.702 306.007 112 | 12 229.424 683.298 304.541 113 | 13 249.424 701.998 303.513 114 | 14 269.424 649.063 301.841 115 | 15 289.424 700.939 300.458 116 | 16 309.424 701.482 299.299 117 | 17 329.424 648.542 298.02 118 | 18 349.424 701.976 296.934 119 | 19 369.424 690.396 296.185 120 | 20 389.424 659.604 294.588 121 | 21 409.424 702 292.744 122 | 22 429.424 657.711 290.703 123 | 23 449.424 692.289 286.8 124 | 24 469.424 701.992 290.67 125 | 25 489.424 648.381 294.285 126 | 26 509.424 701.627 296.484 127 | 27 529.424 700.864 297.868 128 | 28 549.424 649.137 298.27 129 | 29 569.424 701.999 298.637 130 | 30 589.424 680.821 298.942 131 | 31 609.424 47.2142 299.45 132 | 2500000 31 133 | 1 9.42391 676.562 299.879 134 | 2 29.4239 702 301.008 135 | 3 49.4239 651.317 302.486 136 | 4 69.4239 698.683 303.507 137 | 5 89.4239 701.81 305.873 138 | 6 109.424 648.219 307.774 139 | 7 129.424 701.971 310.525 140 | 8 149.424 695.056 314.941 141 | 9 169.424 654.944 311.069 142 | 10 189.424 702 309.252 143 | 11 209.424 667.192 307.073 144 | 12 229.424 682.808 305.866 145 | 13 249.424 701.999 304.387 146 | 14 269.424 648.896 303.226 147 | 15 289.424 701.105 302.527 148 | 16 309.424 701.467 300.889 149 | 17 329.424 648.559 299.596 150 | 18 349.424 701.974 298.315 151 | 19 369.424 690.347 296.41 152 | 20 389.424 659.653 295.049 153 | 21 409.424 702 293.527 154 | 22 429.424 657.837 290.271 155 | 23 449.424 692.163 285.532 156 | 24 469.424 701.974 289.593 157 | 25 489.424 648.51 292.657 158 | 26 509.424 701.516 293.923 159 | 27 529.424 700.953 295.834 160 | 28 549.424 649.047 296.886 161 | 29 569.424 701.999 298.447 162 | 30 589.424 680.333 299.19 163 | 31 609.424 47.1044 299.08 164 | 3000000 31 165 | 1 9.42391 676.72 301.341 166 | 2 29.4239 701.999 302.299 167 | 3 49.4239 651.226 303.35 168 | 4 69.4239 698.775 305.459 169 | 5 89.4239 701.876 306.208 170 | 6 109.424 648.145 307.586 171 | 7 129.424 701.978 310.94 172 | 8 149.424 695.392 315.066 173 | 9 169.424 654.608 310.744 174 | 10 189.424 702 308.018 175 | 11 209.424 667.106 306.008 176 | 12 229.424 682.894 305.422 177 | 13 249.424 702 304.005 178 | 14 269.424 648.653 302.033 179 | 15 289.424 701.347 300.751 180 | 16 309.424 701.457 298.977 181 | 17 329.424 648.569 297.88 182 | 18 349.424 701.975 296.404 183 | 19 369.424 690.901 295.695 184 | 20 389.424 659.099 294.345 185 | 21 409.424 702 293.522 186 | 22 429.424 657.209 291.538 187 | 23 449.424 692.791 286.345 188 | 24 469.424 701.984 290.539 189 | 25 489.424 648.453 293.912 190 | 26 509.424 701.563 295.458 191 | 27 529.424 701.281 296.816 192 | 28 549.424 648.719 296.822 193 | 29 569.424 702 298.182 194 | 30 589.424 680.317 299.599 195 | 31 609.424 46.963 301.053 196 | 3500000 31 197 | 1 9.42391 677.225 300.548 198 | 2 29.4239 702 302.044 199 | 3 49.4239 651.001 302.571 200 | 4 69.4239 698.999 303.465 201 | 5 89.4239 701.906 306.546 202 | 6 109.424 648.118 307.761 203 | 7 129.424 701.976 310.468 204 | 8 149.424 694.764 315.041 205 | 9 169.424 655.236 311.637 206 | 10 189.424 702 308.235 207 | 11 209.424 667.615 305.63 208 | 12 229.424 682.385 305.033 209 | 13 249.424 702 303.374 210 | 14 269.424 648.78 302.054 211 | 15 289.424 701.22 302.246 212 | 16 309.424 701.462 301.032 213 | 17 329.424 648.563 300.074 214 | 18 349.424 701.975 298.18 215 | 19 369.424 691.554 296.647 216 | 20 389.424 658.446 295.353 217 | 21 409.424 702 293.816 218 | 22 429.424 657.668 290.428 219 | 23 449.424 692.332 286.245 220 | 24 469.424 701.977 290.796 221 | 25 489.424 648.489 293.403 222 | 26 509.424 701.535 294.192 223 | 27 529.424 701.186 295.738 224 | 28 549.424 648.814 296.38 225 | 29 569.424 702 297.97 226 | 30 589.424 679.75 298.556 227 | 31 609.424 47.0248 299.476 228 | 4000000 31 229 | 1 9.42391 677.529 301.738 230 | 2 29.4239 701.999 302.131 231 | 3 49.4239 651.416 303.86 232 | 4 69.4239 698.585 304.481 233 | 5 89.4239 701.908 307.184 234 | 6 109.424 648.11 308.394 235 | 7 129.424 701.982 310.564 236 | 8 149.424 694.788 315.18 237 | 9 169.424 655.212 310.872 238 | 10 189.424 702 307.477 239 | 11 209.424 667.656 306.183 240 | 12 229.424 682.344 304.106 241 | 13 249.424 702 302.634 242 | 14 269.424 648.738 301.364 243 | 15 289.424 701.263 300.432 244 | 16 309.424 701.264 299.938 245 | 17 329.424 648.76 298.92 246 | 18 349.424 701.976 297.364 247 | 19 369.424 691.287 294.651 248 | 20 389.424 658.713 293.972 249 | 21 409.424 702 292.425 250 | 22 429.424 657.252 290.045 251 | 23 449.424 692.748 286.575 252 | 24 469.424 701.978 290.445 253 | 25 489.424 648.466 293.617 254 | 26 509.424 701.557 295.984 255 | 27 529.424 701.269 296.842 256 | 28 549.424 648.731 298.358 257 | 29 569.424 702 298.524 258 | 30 589.424 679.463 301.185 259 | 31 609.424 47.0082 301.848 260 | 4500000 31 261 | 1 9.42391 677.561 300.345 262 | 2 29.4239 701.999 301.955 263 | 3 49.4239 651.519 302.975 264 | 4 69.4239 698.482 304.04 265 | 5 89.4239 701.91 304.954 266 | 6 109.424 648.115 307.019 267 | 7 129.424 701.975 309.988 268 | 8 149.424 694.882 315.031 269 | 9 169.424 655.118 311.119 270 | 10 189.424 702 307.833 271 | 11 209.424 667.825 306.12 272 | 12 229.424 682.175 304.892 273 | 13 249.424 702 303.795 274 | 14 269.424 648.599 302.854 275 | 15 289.424 701.401 301.635 276 | 16 309.424 701.357 300.21 277 | 17 329.424 648.662 298.304 278 | 18 349.424 701.981 297.543 279 | 19 369.424 691.065 296.729 280 | 20 389.424 658.935 294.969 281 | 21 409.424 702 293.983 282 | 22 429.424 657.186 291.617 283 | 23 449.424 692.814 287.688 284 | 24 469.424 701.971 291.165 285 | 25 489.424 648.504 293.485 286 | 26 509.424 701.525 295.002 287 | 27 529.424 701.091 296.375 288 | 28 549.424 648.909 297.196 289 | 29 569.424 702 297.715 290 | 30 589.424 679.841 299.198 291 | 31 609.424 46.5981 299.92 292 | 5000000 31 293 | 1 9.42391 677.041 301.279 294 | 2 29.4239 701.998 301.968 295 | 3 49.4239 651.038 303.494 296 | 4 69.4239 698.963 304.649 297 | 5 89.4239 701.894 305.736 298 | 6 109.424 648.136 307.507 299 | 7 129.424 701.971 310.458 300 | 8 149.424 695.702 314.653 301 | 9 169.424 654.298 310.515 302 | 10 189.424 702 307.459 303 | 11 209.424 667.07 305.445 304 | 12 229.424 682.93 304.465 305 | 13 249.424 701.999 302.726 306 | 14 269.424 648.662 302.184 307 | 15 289.424 701.339 301.419 308 | 16 309.424 701.486 300.516 309 | 17 329.424 648.521 298.974 310 | 18 349.424 701.994 297.606 311 | 19 369.424 690.757 296.91 312 | 20 389.424 659.243 294.937 313 | 21 409.424 702 292.9 314 | 22 429.424 657.331 291.477 315 | 23 449.424 692.669 287.005 316 | 24 469.424 701.98 291.14 317 | 25 489.424 648.439 293.356 318 | 26 509.424 701.581 294.334 319 | 27 529.424 700.916 295.841 320 | 28 549.424 649.085 297.063 321 | 29 569.424 701.999 299.188 322 | 30 589.424 680.839 300.66 323 | 31 609.424 46.1196 300.093 324 | -------------------------------------------------------------------------------- /examples/scaling/L_scale800.txt: -------------------------------------------------------------------------------- 1 | # Spatial-averaged data for fix 6b and group all 2 | # Timestep Number-of-bins 3 | # Bin Coord Ncount v_atemp 4 | 500000 41 5 | 1 9.41633 676.213 299.836 6 | 2 29.4163 701.996 301.096 7 | 3 49.4163 655.461 302.091 8 | 4 69.4163 694.543 303.004 9 | 5 89.4163 701.956 304.228 10 | 6 109.416 648.33 305.089 11 | 7 129.416 701.714 305.822 12 | 8 149.416 699.879 307.779 13 | 9 169.416 650.123 310.542 14 | 10 189.416 701.998 314.178 15 | 11 209.416 686.552 314.462 16 | 12 229.416 663.448 310.044 17 | 13 249.416 702 307.405 18 | 14 269.416 663.841 305.679 19 | 15 289.416 686.159 305.454 20 | 16 309.416 701.997 303.886 21 | 17 329.416 649.31 303.44 22 | 18 349.416 700.693 301.84 23 | 19 369.416 700.972 300.541 24 | 20 389.416 649.134 299.151 25 | 21 409.416 701.894 298.584 26 | 22 429.416 694.831 298.573 27 | 23 449.416 655.176 297.264 28 | 24 469.416 701.993 296.531 29 | 25 489.416 675.588 295.208 30 | 26 509.416 674.412 294 31 | 27 529.416 702 291.841 32 | 28 549.416 651.834 291.569 33 | 29 569.416 698.167 289.075 34 | 30 589.416 701.876 284.29 35 | 31 609.416 648.404 284.219 36 | 32 629.416 701.72 288.311 37 | 33 649.416 700.314 291.657 38 | 34 669.416 649.702 293.516 39 | 35 689.416 701.984 293.615 40 | 36 709.416 687.33 294.858 41 | 37 729.416 662.67 295.451 42 | 38 749.416 701.999 296.466 43 | 39 769.416 660.216 296.918 44 | 40 789.416 689.784 298.935 45 | 41 809.416 133.787 299.056 46 | 1000000 41 47 | 1 9.41633 677.012 300.638 48 | 2 29.4163 701.998 301.628 49 | 3 49.4163 655.677 302.864 50 | 4 69.4163 694.325 303.168 51 | 5 89.4163 701.943 304.135 52 | 6 109.416 648.479 305.157 53 | 7 129.416 701.579 305.884 54 | 8 149.416 699.38 307.195 55 | 9 169.416 650.626 308.96 56 | 10 189.416 701.994 313.486 57 | 11 209.416 686.152 313.784 58 | 12 229.416 663.848 309.75 59 | 13 249.416 702 307.264 60 | 14 269.416 664.263 306.556 61 | 15 289.416 685.737 305.609 62 | 16 309.416 701.999 304.005 63 | 17 329.416 648.955 302.605 64 | 18 349.416 701.046 301.686 65 | 19 369.416 701.574 299.905 66 | 20 389.416 648.471 298.813 67 | 21 409.416 701.956 297.838 68 | 22 429.416 694.86 297.277 69 | 23 449.416 655.142 296.911 70 | 24 469.416 701.998 295.695 71 | 25 489.416 675.118 293.586 72 | 26 509.416 674.882 292.966 73 | 27 529.416 701.999 292.529 74 | 28 549.416 652.793 290.937 75 | 29 569.416 697.208 288.975 76 | 30 589.416 701.772 284.969 77 | 31 609.416 648.57 284.978 78 | 32 629.416 701.658 289.715 79 | 33 649.416 699.763 291.512 80 | 34 669.416 650.25 292.884 81 | 35 689.416 701.987 294.118 82 | 36 709.416 688.525 295.425 83 | 37 729.416 661.475 296.699 84 | 38 749.416 702 297.959 85 | 39 769.416 658.071 298.655 86 | 40 789.416 691.929 299.542 87 | 41 809.416 132.988 300.127 88 | 1500000 41 89 | 1 9.41633 676.679 299.866 90 | 2 29.4163 701.996 300.059 91 | 3 49.4163 654.601 301.45 92 | 4 69.4163 695.402 302.03 93 | 5 89.4163 701.921 303.798 94 | 6 109.416 648.402 305.016 95 | 7 129.416 701.677 306.33 96 | 8 149.416 698.76 307.426 97 | 9 169.416 651.247 309.359 98 | 10 189.416 701.993 314.544 99 | 11 209.416 685.52 314.463 100 | 12 229.416 664.48 309.931 101 | 13 249.416 702 307.831 102 | 14 269.416 664.525 307.367 103 | 15 289.416 685.475 305.697 104 | 16 309.416 701.998 303.921 105 | 17 329.416 648.77 302.994 106 | 18 349.416 701.232 301.58 107 | 19 369.416 701.655 300.53 108 | 20 389.416 648.395 299.764 109 | 21 409.416 701.95 298.71 110 | 22 429.416 696.016 297.167 111 | 23 449.416 653.985 296.8 112 | 24 469.416 701.999 295.974 113 | 25 489.416 676.056 295.103 114 | 26 509.416 673.944 293.425 115 | 27 529.416 701.998 292.805 116 | 28 549.416 653.117 290.768 117 | 29 569.416 696.885 289.338 118 | 30 589.416 701.791 284.906 119 | 31 609.416 648.778 284.95 120 | 32 629.416 701.431 289.083 121 | 33 649.416 699.875 291.194 122 | 34 669.416 650.137 292.864 123 | 35 689.416 701.988 293.897 124 | 36 709.416 687.247 295.466 125 | 37 729.416 662.753 296.666 126 | 38 749.416 702 297.036 127 | 39 769.416 657.47 296.728 128 | 40 789.416 692.53 299.39 129 | 41 809.416 133.321 300.819 130 | 2000000 41 131 | 1 9.41633 677.133 298.512 132 | 2 29.4163 702 299.638 133 | 3 49.4163 653.788 300.651 134 | 4 69.4163 696.212 301.53 135 | 5 89.4163 701.973 302.711 136 | 6 109.416 648.221 304.618 137 | 7 129.416 701.806 305.444 138 | 8 149.416 699.204 307.384 139 | 9 169.416 650.802 309.725 140 | 10 189.416 701.994 313.568 141 | 11 209.416 686.369 313.073 142 | 12 229.416 663.631 309.866 143 | 13 249.416 702 308.09 144 | 14 269.416 664.518 305.974 145 | 15 289.416 685.482 304.815 146 | 16 309.416 701.999 304.232 147 | 17 329.416 648.99 302.641 148 | 18 349.416 701.011 301.935 149 | 19 369.416 701.575 300.657 150 | 20 389.416 648.473 300.449 151 | 21 409.416 701.952 299.075 152 | 22 429.416 696.572 298.183 153 | 23 449.416 653.429 297.643 154 | 24 469.416 701.999 297.018 155 | 25 489.416 674.963 295.671 156 | 26 509.416 675.037 295.355 157 | 27 529.416 701.999 293.695 158 | 28 549.416 652.257 292.579 159 | 29 569.416 697.743 290.636 160 | 30 589.416 701.73 286.221 161 | 31 609.416 648.737 285.658 162 | 32 629.416 701.534 289.388 163 | 33 649.416 699.924 291.141 164 | 34 669.416 650.094 292.41 165 | 35 689.416 701.982 294.097 166 | 36 709.416 687.349 294.82 167 | 37 729.416 662.651 295.981 168 | 38 749.416 702 297.01 169 | 39 769.416 657.644 296.767 170 | 40 789.416 692.356 297.938 171 | 41 809.416 132.867 298.692 172 | 2500000 41 173 | 1 9.41633 676.337 301.271 174 | 2 29.4163 701.999 301.634 175 | 3 49.4163 653.628 302.041 176 | 4 69.4163 696.372 302.945 177 | 5 89.4163 701.988 303.454 178 | 6 109.416 648.15 305.292 179 | 7 129.416 701.862 305.924 180 | 8 149.416 699.785 307.831 181 | 9 169.416 650.218 310.065 182 | 10 189.416 701.997 315.154 183 | 11 209.416 685.891 315.553 184 | 12 229.416 664.109 310.27 185 | 13 249.416 702 308.267 186 | 14 269.416 664.982 307.041 187 | 15 289.416 685.018 305.536 188 | 16 309.416 701.996 304.49 189 | 17 329.416 649.584 302.644 190 | 18 349.416 700.419 301.406 191 | 19 369.416 701.38 300.54 192 | 20 389.416 648.684 299.258 193 | 21 409.416 701.935 298.04 194 | 22 429.416 696.703 297.542 195 | 23 449.416 653.297 296.896 196 | 24 469.416 702 297.007 197 | 25 489.416 674.938 296.053 198 | 26 509.416 675.062 294.102 199 | 27 529.416 701.999 292.119 200 | 28 549.416 651.392 289.674 201 | 29 569.416 698.609 287.973 202 | 30 589.416 701.774 283.792 203 | 31 609.416 648.763 283.605 204 | 32 629.416 701.464 287.406 205 | 33 649.416 699.532 290.14 206 | 34 669.416 650.492 291.575 207 | 35 689.416 701.976 293.52 208 | 36 709.416 686.421 294.648 209 | 37 729.416 663.579 295.544 210 | 38 749.416 702 296.943 211 | 39 769.416 659.295 298.836 212 | 40 789.416 690.705 300.12 213 | 41 809.416 133.663 301.035 214 | 3000000 41 215 | 1 9.41633 676.916 299.469 216 | 2 29.4163 701.998 300.112 217 | 3 49.4163 654.674 301.729 218 | 4 69.4163 695.328 303.254 219 | 5 89.4163 701.962 305.269 220 | 6 109.416 648.181 306.21 221 | 7 129.416 701.857 306.369 222 | 8 149.416 700 308.815 223 | 9 169.416 650.001 311.058 224 | 10 189.416 701.998 314.65 225 | 11 209.416 687.93 315.2 226 | 12 229.416 662.07 310.629 227 | 13 249.416 702 307.707 228 | 14 269.416 665.018 305.725 229 | 15 289.416 684.982 304.422 230 | 16 309.416 701.994 304.33 231 | 17 329.416 649.707 303.062 232 | 18 349.416 700.299 301.38 233 | 19 369.416 701.027 300.896 234 | 20 389.416 649.141 300.015 235 | 21 409.416 701.832 298.909 236 | 22 429.416 695.389 298.57 237 | 23 449.416 654.614 297.489 238 | 24 469.416 701.997 295.405 239 | 25 489.416 675.276 294.389 240 | 26 509.416 674.724 293.499 241 | 27 529.416 702 292.908 242 | 28 549.416 651.078 291.209 243 | 29 569.416 698.923 289.006 244 | 30 589.416 701.908 284.602 245 | 31 609.416 648.387 285.268 246 | 32 629.416 701.704 289.523 247 | 33 649.416 700.325 291.085 248 | 34 669.416 649.684 291.941 249 | 35 689.416 701.991 292.379 250 | 36 709.416 684.983 293.477 251 | 37 729.416 665.017 294.305 252 | 38 749.416 702 296.119 253 | 39 769.416 660.377 297.596 254 | 40 789.416 689.624 298.905 255 | 41 809.416 133.084 299.864 256 | 3500000 41 257 | 1 9.41633 676.075 299.329 258 | 2 29.4163 701.999 300.352 259 | 3 49.4163 655.837 301.837 260 | 4 69.4163 694.165 302.965 261 | 5 89.4163 701.934 303.712 262 | 6 109.416 648.51 304.409 263 | 7 129.416 701.556 305.306 264 | 8 149.416 699.145 306.644 265 | 9 169.416 650.861 308.773 266 | 10 189.416 701.994 312.894 267 | 11 209.416 686.926 313.181 268 | 12 229.416 663.074 308.877 269 | 13 249.416 702 307.528 270 | 14 269.416 662.956 306.319 271 | 15 289.416 687.044 305.153 272 | 16 309.416 701.998 303.816 273 | 17 329.416 648.747 303.334 274 | 18 349.416 701.255 302.397 275 | 19 369.416 701.407 301.841 276 | 20 389.416 648.68 301.51 277 | 21 409.416 701.913 299.643 278 | 22 429.416 695.366 298.068 279 | 23 449.416 654.636 296.705 280 | 24 469.416 701.997 296.153 281 | 25 489.416 674.442 295.283 282 | 26 509.416 675.558 294.558 283 | 27 529.416 701.999 293.421 284 | 28 549.416 652.712 291.86 285 | 29 569.416 697.29 289.457 286 | 30 589.416 701.832 286.044 287 | 31 609.416 648.61 285.045 288 | 32 629.416 701.558 289.231 289 | 33 649.416 700.51 291.004 290 | 34 669.416 649.494 292.819 291 | 35 689.416 701.996 293.943 292 | 36 709.416 688.105 294.278 293 | 37 729.416 661.895 295.023 294 | 38 749.416 702 296.787 295 | 39 769.416 658.957 298.045 296 | 40 789.416 691.043 299.365 297 | 41 809.416 133.925 298.386 298 | 4000000 41 299 | 1 9.41633 677.524 298.329 300 | 2 29.4163 701.999 300.096 301 | 3 49.4163 654.447 301.013 302 | 4 69.4163 695.554 302.108 303 | 5 89.4163 701.935 302.023 304 | 6 109.416 648.425 304.376 305 | 7 129.416 701.64 306.503 306 | 8 149.416 699.21 309.148 307 | 9 169.416 650.798 310.932 308 | 10 189.416 701.992 314.426 309 | 11 209.416 686.176 313.676 310 | 12 229.416 663.824 310.669 311 | 13 249.416 702 307.921 312 | 14 269.416 663.234 306.557 313 | 15 289.416 686.766 305.534 314 | 16 309.416 702 304.271 315 | 17 329.416 648.633 303.726 316 | 18 349.416 701.368 302.443 317 | 19 369.416 701.625 301.229 318 | 20 389.416 648.439 299.858 319 | 21 409.416 701.937 298.896 320 | 22 429.416 695.964 297.93 321 | 23 449.416 654.038 297.19 322 | 24 469.416 701.998 295.943 323 | 25 489.416 675.349 294.941 324 | 26 509.416 674.651 294.892 325 | 27 529.416 701.999 293.622 326 | 28 549.416 653.011 291.637 327 | 29 569.416 696.99 289.696 328 | 30 589.416 701.757 285.686 329 | 31 609.416 648.74 284.862 330 | 32 629.416 701.504 289.55 331 | 33 649.416 700.558 291.627 332 | 34 669.416 649.45 292.251 333 | 35 689.416 701.992 292.798 334 | 36 709.416 688.634 295.223 335 | 37 729.416 661.366 295.834 336 | 38 749.416 702 296.107 337 | 39 769.416 657.021 296.472 338 | 40 789.416 692.979 297.01 339 | 41 809.416 132.476 297.495 340 | 4500000 41 341 | 1 9.41633 676.635 300.205 342 | 2 29.4163 701.999 300.62 343 | 3 49.4163 654.022 300.868 344 | 4 69.4163 695.978 302.603 345 | 5 89.4163 701.961 304.388 346 | 6 109.416 648.302 305.348 347 | 7 129.416 701.737 307.299 348 | 8 149.416 699.377 308.605 349 | 9 169.416 650.628 309.555 350 | 10 189.416 701.994 312.523 351 | 11 209.416 686.442 313.236 352 | 12 229.416 663.559 308.757 353 | 13 249.416 702 306.857 354 | 14 269.416 663.702 305.247 355 | 15 289.416 686.298 304.709 356 | 16 309.416 702 302.723 357 | 17 329.416 648.668 302.047 358 | 18 349.416 701.332 301.265 359 | 19 369.416 701.715 301.039 360 | 20 389.416 648.32 300.268 361 | 21 409.416 701.966 299.399 362 | 22 429.416 696.302 298.623 363 | 23 449.416 653.699 297.502 364 | 24 469.416 701.999 296.322 365 | 25 489.416 675.15 295.684 366 | 26 509.416 674.85 294.598 367 | 27 529.416 701.998 292.875 368 | 28 549.416 652.166 291.491 369 | 29 569.416 697.836 289.191 370 | 30 589.416 701.754 284.803 371 | 31 609.416 648.676 284.918 372 | 32 629.416 701.57 288.897 373 | 33 649.416 700.251 291.061 374 | 34 669.416 649.765 292.648 375 | 35 689.416 701.985 294.116 376 | 36 709.416 688.317 295.171 377 | 37 729.416 661.683 296.483 378 | 38 749.416 702 297.45 379 | 39 769.416 657.677 298.536 380 | 40 789.416 692.323 298.728 381 | 41 809.416 133.365 299.783 382 | 5000000 41 383 | 1 9.41633 677.672 299.292 384 | 2 29.4163 701.998 301.508 385 | 3 49.4163 653.281 302.867 386 | 4 69.4163 696.72 303.474 387 | 5 89.4163 701.982 303.629 388 | 6 109.416 648.164 304.144 389 | 7 129.416 701.854 305.584 390 | 8 149.416 699.687 307.183 391 | 9 169.416 650.317 308.766 392 | 10 189.416 701.997 312.39 393 | 11 209.416 685.884 313.332 394 | 12 229.416 664.116 309.748 395 | 13 249.416 702 307.892 396 | 14 269.416 665.4 306.706 397 | 15 289.416 684.6 305.627 398 | 16 309.416 701.998 304.713 399 | 17 329.416 649.349 303.851 400 | 18 349.416 700.654 302.466 401 | 19 369.416 701.521 301.32 402 | 20 389.416 648.551 299.848 403 | 21 409.416 701.928 298.861 404 | 22 429.416 696.76 297.582 405 | 23 449.416 653.241 296.408 406 | 24 469.416 701.999 295.56 407 | 25 489.416 675.784 295.065 408 | 26 509.416 674.216 294.659 409 | 27 529.416 702 293.443 410 | 28 549.416 651.873 291.782 411 | 29 569.416 698.127 290.279 412 | 30 589.416 701.82 285.511 413 | 31 609.416 648.591 283.954 414 | 32 629.416 701.589 288.627 415 | 33 649.416 699.789 290.721 416 | 34 669.416 650.224 292.45 417 | 35 689.416 701.986 293.407 418 | 36 709.416 686.424 294.878 419 | 37 729.416 663.576 296.353 420 | 38 749.416 702 297.065 421 | 39 769.416 658.418 297.535 422 | 40 789.416 691.582 298.568 423 | 41 809.416 132.328 298.259 424 | -------------------------------------------------------------------------------- /examples/scaling/T_scale100.txt: -------------------------------------------------------------------------------- 1 | # Spatial-averaged data for fix 6b and group all 2 | # Timestep Number-of-bins 3 | # Bin Coord Ncount v_atemp 4 | 500000 41 5 | 1 9.05326 674.135 101.322 6 | 2 29.0533 702 102.204 7 | 3 49.0533 648.037 102.723 8 | 4 69.0533 701.963 103.211 9 | 5 89.0533 701.987 103.499 10 | 6 109.053 648.013 104.231 11 | 7 129.053 702 105.387 12 | 8 149.053 691.858 107.036 13 | 9 169.053 658.142 109.582 14 | 10 189.053 702 112.405 15 | 11 209.053 648.12 117.457 16 | 12 229.053 701.88 110.115 17 | 13 249.053 702 108.09 18 | 14 269.053 648 105.983 19 | 15 289.053 702 105.076 20 | 16 309.053 698.261 104.17 21 | 17 329.053 651.739 103.534 22 | 18 349.053 702 102.641 23 | 19 369.053 651.323 102.226 24 | 20 389.053 698.677 101.412 25 | 21 409.053 702 100.891 26 | 22 429.053 648 100.562 27 | 23 449.053 702 100.35 28 | 24 469.053 700.924 99.6535 29 | 25 489.053 649.076 99.0841 30 | 26 509.053 702 98.6949 31 | 27 529.053 659.667 97.8454 32 | 28 549.053 690.333 97.2508 33 | 29 569.053 702 95.7243 34 | 30 589.053 648.001 92.0028 35 | 31 609.053 701.999 91.667 36 | 32 629.053 701.946 95.514 37 | 33 649.053 648.054 96.7611 38 | 34 669.053 702 97.376 39 | 35 689.053 670.369 98.0367 40 | 36 709.053 679.631 98.6488 41 | 37 729.053 702 99.4254 42 | 38 749.053 648.126 99.989 43 | 39 769.053 701.874 100.163 44 | 40 789.053 701.999 100.74 45 | 41 809.053 135.866 100.87 46 | 1000000 41 47 | 1 9.05326 672.938 101.15 48 | 2 29.0533 702 101.2 49 | 3 49.0533 648.084 102.17 50 | 4 69.0533 701.916 102.354 51 | 5 89.0533 701.988 103.188 52 | 6 109.053 648.012 103.753 53 | 7 129.053 702 107.933 54 | 8 149.053 691.428 108.952 55 | 9 169.053 658.572 108.63 56 | 10 189.053 702 113.705 57 | 11 209.053 648.202 117.66 58 | 12 229.053 701.798 110.725 59 | 13 249.053 701.999 107.475 60 | 14 269.053 648.001 108.641 61 | 15 289.053 702 104.642 62 | 16 309.053 697.733 104.486 63 | 17 329.053 652.267 102.757 64 | 18 349.053 702 103.237 65 | 19 369.053 651.722 102.277 66 | 20 389.053 698.278 101.501 67 | 21 409.053 702 99.877 68 | 22 429.053 648 100.581 69 | 23 449.053 702 99.7933 70 | 24 469.053 700.556 99.2151 71 | 25 489.053 649.444 98.8396 72 | 26 509.053 702 98.2712 73 | 27 529.053 659.739 96.9568 74 | 28 549.053 690.261 96.7099 75 | 29 569.053 702 94.49 76 | 30 589.053 648.001 91.2433 77 | 31 609.053 701.999 90.8519 78 | 32 629.053 701.919 94.1648 79 | 33 649.053 648.081 95.2805 80 | 34 669.053 702 96.7967 81 | 35 689.053 671.019 97.4348 82 | 36 709.053 678.981 97.3196 83 | 37 729.053 702 98.0756 84 | 38 749.053 648.141 99.1933 85 | 39 769.053 701.859 100.105 86 | 40 789.053 701.998 99.8949 87 | 41 809.053 137.064 99.6982 88 | 1500000 41 89 | 1 9.05326 673.998 100.503 90 | 2 29.0533 702 101.148 91 | 3 49.0533 648.137 101.998 92 | 4 69.0533 701.863 102.261 93 | 5 89.0533 701.958 103.578 94 | 6 109.053 648.042 104.702 95 | 7 129.053 702 105.906 96 | 8 149.053 689.899 108.557 97 | 9 169.053 660.101 111.191 98 | 10 189.053 702 116.595 99 | 11 209.053 648.354 120.145 100 | 12 229.053 701.646 110.357 101 | 13 249.053 701.996 106.984 102 | 14 269.053 648.004 105.583 103 | 15 289.053 702 104.104 104 | 16 309.053 697.276 103.241 105 | 17 329.053 652.724 102.306 106 | 18 349.053 702 101.616 107 | 19 369.053 652.396 100.286 108 | 20 389.053 697.604 100.214 109 | 21 409.053 702 99.1516 110 | 22 429.053 648.001 99.5238 111 | 23 449.053 701.999 99.1747 112 | 24 469.053 700.323 98.2478 113 | 25 489.053 649.677 97.6932 114 | 26 509.053 702 97.4898 115 | 27 529.053 661.066 96.646 116 | 28 549.053 688.934 95.9834 117 | 29 569.053 702 95.0589 118 | 30 589.053 648.001 91.2997 119 | 31 609.053 701.999 90.8817 120 | 32 629.053 701.873 94.3849 121 | 33 649.053 648.127 95.7921 122 | 34 669.053 702 96.7792 123 | 35 689.053 671.044 97.2316 124 | 36 709.053 678.956 97.5528 125 | 37 729.053 702 98.5196 126 | 38 749.053 648.243 98.874 127 | 39 769.053 701.757 99.183 128 | 40 789.053 701.994 99.9822 129 | 41 809.053 136.008 99.9396 130 | -------------------------------------------------------------------------------- /examples/scaling/T_scale200.txt: -------------------------------------------------------------------------------- 1 | # Spatial-averaged data for fix 6b and group all 2 | # Timestep Number-of-bins 3 | # Bin Coord Ncount v_atemp 4 | 500000 41 5 | 1 9.03551 674.634 206.445 6 | 2 29.0355 702 207.021 7 | 3 49.0355 648.23 207.523 8 | 4 69.0355 701.77 208.386 9 | 5 89.0355 701.92 208.615 10 | 6 109.036 648.08 209.415 11 | 7 129.036 702 210.055 12 | 8 149.036 686.623 210.849 13 | 9 169.036 663.377 212.672 14 | 10 189.036 702 216.885 15 | 11 209.036 648.721 217.895 16 | 12 229.036 701.279 213.066 17 | 13 249.036 701.989 210.688 18 | 14 269.036 648.011 210.086 19 | 15 289.036 702 209.071 20 | 16 309.036 693.912 208.767 21 | 17 329.036 656.088 208.421 22 | 18 349.036 702 207.726 23 | 19 369.036 651.795 206.826 24 | 20 389.036 698.205 206.088 25 | 21 409.036 701.999 205.645 26 | 22 429.036 648.002 205.104 27 | 23 449.036 701.999 204.823 28 | 24 469.036 698.505 203.692 29 | 25 489.036 651.495 202.825 30 | 26 509.036 702 202.17 31 | 27 529.036 656.159 201.478 32 | 28 549.036 693.841 200.329 33 | 29 569.036 702 199.122 34 | 30 589.036 648.005 195.708 35 | 31 609.036 701.995 195.131 36 | 32 629.036 701.107 198.931 37 | 33 649.036 648.893 200.133 38 | 34 669.036 702 200.892 39 | 35 689.036 662.969 202.303 40 | 36 709.036 687.031 203.264 41 | 37 729.036 702 203.554 42 | 38 749.036 648.086 204.556 43 | 39 769.036 701.914 205.047 44 | 40 789.036 701.755 206.257 45 | 41 809.036 135.61 206.425 46 | 1000000 41 47 | 1 9.03551 674.624 206.088 48 | 2 29.0355 702 206.3 49 | 3 49.0355 648.182 206.651 50 | 4 69.0355 701.818 207.441 51 | 5 89.0355 701.931 208.422 52 | 6 109.036 648.069 208.681 53 | 7 129.036 702 209.084 54 | 8 149.036 686.451 210.619 55 | 9 169.036 663.549 212.732 56 | 10 189.036 702 216.311 57 | 11 209.036 648.874 217.099 58 | 12 229.036 701.126 213.149 59 | 13 249.036 701.983 211.591 60 | 14 269.036 648.017 210.453 61 | 15 289.036 702 210.016 62 | 16 309.036 693.616 209.67 63 | 17 329.036 656.384 208.589 64 | 18 349.036 702 208.003 65 | 19 369.036 651.383 207.852 66 | 20 389.036 698.617 207.026 67 | 21 409.036 702 205.899 68 | 22 429.036 648.001 205.21 69 | 23 449.036 702 204.767 70 | 24 469.036 698.77 204.596 71 | 25 489.036 651.23 204.151 72 | 26 509.036 702 202.75 73 | 27 529.036 656.166 201.973 74 | 28 549.036 693.834 201.448 75 | 29 569.036 702 199.244 76 | 30 589.036 648.007 195.476 77 | 31 609.036 701.993 194.115 78 | 32 629.036 700.927 198.411 79 | 33 649.036 649.073 199.715 80 | 34 669.036 702 201.465 81 | 35 689.036 663.288 202.338 82 | 36 709.036 686.712 203.312 83 | 37 729.036 702 203.56 84 | 38 749.036 648.067 203.986 85 | 39 769.036 701.933 204.48 86 | 40 789.036 701.782 205.126 87 | 41 809.036 135.594 205.422 88 | 1500000 41 89 | 1 9.03551 674.653 206.363 90 | 2 29.0355 702 206.529 91 | 3 49.0355 648.185 207.7 92 | 4 69.0355 701.815 208.041 93 | 5 89.0355 701.912 208.856 94 | 6 109.036 648.088 208.805 95 | 7 129.036 702 209.539 96 | 8 149.036 686.193 210.97 97 | 9 169.036 663.807 213.015 98 | 10 189.036 702 217.14 99 | 11 209.036 648.999 217.333 100 | 12 229.036 701.001 212.742 101 | 13 249.036 701.983 210.467 102 | 14 269.036 648.017 209.961 103 | 15 289.036 702 208.68 104 | 16 309.036 694.005 208.355 105 | 17 329.036 655.995 208.033 106 | 18 349.036 702 207.96 107 | 19 369.036 650.826 207.173 108 | 20 389.036 699.174 206.579 109 | 21 409.036 702 205.654 110 | 22 429.036 648.001 204.858 111 | 23 449.036 702 203.981 112 | 24 469.036 698.643 204.015 113 | 25 489.036 651.357 203.555 114 | 26 509.036 702 202.794 115 | 27 529.036 656.341 201.73 116 | 28 549.036 693.659 200.877 117 | 29 569.036 702 199.157 118 | 30 589.036 648.009 196.11 119 | 31 609.036 701.991 195.117 120 | 32 629.036 700.813 198.995 121 | 33 649.036 649.187 200.724 122 | 34 669.036 702 201.312 123 | 35 689.036 663.27 202.462 124 | 36 709.036 686.73 203.092 125 | 37 729.036 702 204.133 126 | 38 749.036 648.054 204.692 127 | 39 769.036 701.946 204.664 128 | 40 789.036 701.847 205.769 129 | 41 809.036 135.5 205.839 130 | -------------------------------------------------------------------------------- /examples/scaling/T_scale300.txt: -------------------------------------------------------------------------------- 1 | # Spatial-averaged data for fix 6b and group all 2 | # Timestep Number-of-bins 3 | # Bin Coord Ncount v_atemp 4 | 500000 41 5 | 1 9.41633 676.213 299.836 6 | 2 29.4163 701.996 301.096 7 | 3 49.4163 655.461 302.091 8 | 4 69.4163 694.543 303.004 9 | 5 89.4163 701.956 304.228 10 | 6 109.416 648.33 305.089 11 | 7 129.416 701.714 305.822 12 | 8 149.416 699.879 307.779 13 | 9 169.416 650.123 310.542 14 | 10 189.416 701.998 314.178 15 | 11 209.416 686.552 314.462 16 | 12 229.416 663.448 310.044 17 | 13 249.416 702 307.405 18 | 14 269.416 663.841 305.679 19 | 15 289.416 686.159 305.454 20 | 16 309.416 701.997 303.886 21 | 17 329.416 649.31 303.44 22 | 18 349.416 700.693 301.84 23 | 19 369.416 700.972 300.541 24 | 20 389.416 649.134 299.151 25 | 21 409.416 701.894 298.584 26 | 22 429.416 694.831 298.573 27 | 23 449.416 655.176 297.264 28 | 24 469.416 701.993 296.531 29 | 25 489.416 675.588 295.208 30 | 26 509.416 674.412 294 31 | 27 529.416 702 291.841 32 | 28 549.416 651.834 291.569 33 | 29 569.416 698.167 289.075 34 | 30 589.416 701.876 284.29 35 | 31 609.416 648.404 284.219 36 | 32 629.416 701.72 288.311 37 | 33 649.416 700.314 291.657 38 | 34 669.416 649.702 293.516 39 | 35 689.416 701.984 293.615 40 | 36 709.416 687.33 294.858 41 | 37 729.416 662.67 295.451 42 | 38 749.416 701.999 296.466 43 | 39 769.416 660.216 296.918 44 | 40 789.416 689.784 298.935 45 | 41 809.416 133.787 299.056 46 | 1000000 41 47 | 1 9.41633 677.012 300.638 48 | 2 29.4163 701.998 301.628 49 | 3 49.4163 655.677 302.864 50 | 4 69.4163 694.325 303.168 51 | 5 89.4163 701.943 304.135 52 | 6 109.416 648.479 305.157 53 | 7 129.416 701.579 305.884 54 | 8 149.416 699.38 307.195 55 | 9 169.416 650.626 308.96 56 | 10 189.416 701.994 313.486 57 | 11 209.416 686.152 313.784 58 | 12 229.416 663.848 309.75 59 | 13 249.416 702 307.264 60 | 14 269.416 664.263 306.556 61 | 15 289.416 685.737 305.609 62 | 16 309.416 701.999 304.005 63 | 17 329.416 648.955 302.605 64 | 18 349.416 701.046 301.686 65 | 19 369.416 701.574 299.905 66 | 20 389.416 648.471 298.813 67 | 21 409.416 701.956 297.838 68 | 22 429.416 694.86 297.277 69 | 23 449.416 655.142 296.911 70 | 24 469.416 701.998 295.695 71 | 25 489.416 675.118 293.586 72 | 26 509.416 674.882 292.966 73 | 27 529.416 701.999 292.529 74 | 28 549.416 652.793 290.937 75 | 29 569.416 697.208 288.975 76 | 30 589.416 701.772 284.969 77 | 31 609.416 648.57 284.978 78 | 32 629.416 701.658 289.715 79 | 33 649.416 699.763 291.512 80 | 34 669.416 650.25 292.884 81 | 35 689.416 701.987 294.118 82 | 36 709.416 688.525 295.425 83 | 37 729.416 661.475 296.699 84 | 38 749.416 702 297.959 85 | 39 769.416 658.071 298.655 86 | 40 789.416 691.929 299.542 87 | 41 809.416 132.988 300.127 88 | 1500000 41 89 | 1 9.41633 676.679 299.866 90 | 2 29.4163 701.996 300.059 91 | 3 49.4163 654.601 301.45 92 | 4 69.4163 695.402 302.03 93 | 5 89.4163 701.921 303.798 94 | 6 109.416 648.402 305.016 95 | 7 129.416 701.677 306.33 96 | 8 149.416 698.76 307.426 97 | 9 169.416 651.247 309.359 98 | 10 189.416 701.993 314.544 99 | 11 209.416 685.52 314.463 100 | 12 229.416 664.48 309.931 101 | 13 249.416 702 307.831 102 | 14 269.416 664.525 307.367 103 | 15 289.416 685.475 305.697 104 | 16 309.416 701.998 303.921 105 | 17 329.416 648.77 302.994 106 | 18 349.416 701.232 301.58 107 | 19 369.416 701.655 300.53 108 | 20 389.416 648.395 299.764 109 | 21 409.416 701.95 298.71 110 | 22 429.416 696.016 297.167 111 | 23 449.416 653.985 296.8 112 | 24 469.416 701.999 295.974 113 | 25 489.416 676.056 295.103 114 | 26 509.416 673.944 293.425 115 | 27 529.416 701.998 292.805 116 | 28 549.416 653.117 290.768 117 | 29 569.416 696.885 289.338 118 | 30 589.416 701.791 284.906 119 | 31 609.416 648.778 284.95 120 | 32 629.416 701.431 289.083 121 | 33 649.416 699.875 291.194 122 | 34 669.416 650.137 292.864 123 | 35 689.416 701.988 293.897 124 | 36 709.416 687.247 295.466 125 | 37 729.416 662.753 296.666 126 | 38 749.416 702 297.036 127 | 39 769.416 657.47 296.728 128 | 40 789.416 692.53 299.39 129 | 41 809.416 133.321 300.819 130 | 2000000 41 131 | 1 9.41633 677.133 298.512 132 | 2 29.4163 702 299.638 133 | 3 49.4163 653.788 300.651 134 | 4 69.4163 696.212 301.53 135 | 5 89.4163 701.973 302.711 136 | 6 109.416 648.221 304.618 137 | 7 129.416 701.806 305.444 138 | 8 149.416 699.204 307.384 139 | 9 169.416 650.802 309.725 140 | 10 189.416 701.994 313.568 141 | 11 209.416 686.369 313.073 142 | 12 229.416 663.631 309.866 143 | 13 249.416 702 308.09 144 | 14 269.416 664.518 305.974 145 | 15 289.416 685.482 304.815 146 | 16 309.416 701.999 304.232 147 | 17 329.416 648.99 302.641 148 | 18 349.416 701.011 301.935 149 | 19 369.416 701.575 300.657 150 | 20 389.416 648.473 300.449 151 | 21 409.416 701.952 299.075 152 | 22 429.416 696.572 298.183 153 | 23 449.416 653.429 297.643 154 | 24 469.416 701.999 297.018 155 | 25 489.416 674.963 295.671 156 | 26 509.416 675.037 295.355 157 | 27 529.416 701.999 293.695 158 | 28 549.416 652.257 292.579 159 | 29 569.416 697.743 290.636 160 | 30 589.416 701.73 286.221 161 | 31 609.416 648.737 285.658 162 | 32 629.416 701.534 289.388 163 | 33 649.416 699.924 291.141 164 | 34 669.416 650.094 292.41 165 | 35 689.416 701.982 294.097 166 | 36 709.416 687.349 294.82 167 | 37 729.416 662.651 295.981 168 | 38 749.416 702 297.01 169 | 39 769.416 657.644 296.767 170 | 40 789.416 692.356 297.938 171 | 41 809.416 132.867 298.692 172 | 2500000 41 173 | 1 9.41633 676.337 301.271 174 | 2 29.4163 701.999 301.634 175 | 3 49.4163 653.628 302.041 176 | 4 69.4163 696.372 302.945 177 | 5 89.4163 701.988 303.454 178 | 6 109.416 648.15 305.292 179 | 7 129.416 701.862 305.924 180 | 8 149.416 699.785 307.831 181 | 9 169.416 650.218 310.065 182 | 10 189.416 701.997 315.154 183 | 11 209.416 685.891 315.553 184 | 12 229.416 664.109 310.27 185 | 13 249.416 702 308.267 186 | 14 269.416 664.982 307.041 187 | 15 289.416 685.018 305.536 188 | 16 309.416 701.996 304.49 189 | 17 329.416 649.584 302.644 190 | 18 349.416 700.419 301.406 191 | 19 369.416 701.38 300.54 192 | 20 389.416 648.684 299.258 193 | 21 409.416 701.935 298.04 194 | 22 429.416 696.703 297.542 195 | 23 449.416 653.297 296.896 196 | 24 469.416 702 297.007 197 | 25 489.416 674.938 296.053 198 | 26 509.416 675.062 294.102 199 | 27 529.416 701.999 292.119 200 | 28 549.416 651.392 289.674 201 | 29 569.416 698.609 287.973 202 | 30 589.416 701.774 283.792 203 | 31 609.416 648.763 283.605 204 | 32 629.416 701.464 287.406 205 | 33 649.416 699.532 290.14 206 | 34 669.416 650.492 291.575 207 | 35 689.416 701.976 293.52 208 | 36 709.416 686.421 294.648 209 | 37 729.416 663.579 295.544 210 | 38 749.416 702 296.943 211 | 39 769.416 659.295 298.836 212 | 40 789.416 690.705 300.12 213 | 41 809.416 133.663 301.035 214 | 3000000 41 215 | 1 9.41633 676.916 299.469 216 | 2 29.4163 701.998 300.112 217 | 3 49.4163 654.674 301.729 218 | 4 69.4163 695.328 303.254 219 | 5 89.4163 701.962 305.269 220 | 6 109.416 648.181 306.21 221 | 7 129.416 701.857 306.369 222 | 8 149.416 700 308.815 223 | 9 169.416 650.001 311.058 224 | 10 189.416 701.998 314.65 225 | 11 209.416 687.93 315.2 226 | 12 229.416 662.07 310.629 227 | 13 249.416 702 307.707 228 | 14 269.416 665.018 305.725 229 | 15 289.416 684.982 304.422 230 | 16 309.416 701.994 304.33 231 | 17 329.416 649.707 303.062 232 | 18 349.416 700.299 301.38 233 | 19 369.416 701.027 300.896 234 | 20 389.416 649.141 300.015 235 | 21 409.416 701.832 298.909 236 | 22 429.416 695.389 298.57 237 | 23 449.416 654.614 297.489 238 | 24 469.416 701.997 295.405 239 | 25 489.416 675.276 294.389 240 | 26 509.416 674.724 293.499 241 | 27 529.416 702 292.908 242 | 28 549.416 651.078 291.209 243 | 29 569.416 698.923 289.006 244 | 30 589.416 701.908 284.602 245 | 31 609.416 648.387 285.268 246 | 32 629.416 701.704 289.523 247 | 33 649.416 700.325 291.085 248 | 34 669.416 649.684 291.941 249 | 35 689.416 701.991 292.379 250 | 36 709.416 684.983 293.477 251 | 37 729.416 665.017 294.305 252 | 38 749.416 702 296.119 253 | 39 769.416 660.377 297.596 254 | 40 789.416 689.624 298.905 255 | 41 809.416 133.084 299.864 256 | 3500000 41 257 | 1 9.41633 676.075 299.329 258 | 2 29.4163 701.999 300.352 259 | 3 49.4163 655.837 301.837 260 | 4 69.4163 694.165 302.965 261 | 5 89.4163 701.934 303.712 262 | 6 109.416 648.51 304.409 263 | 7 129.416 701.556 305.306 264 | 8 149.416 699.145 306.644 265 | 9 169.416 650.861 308.773 266 | 10 189.416 701.994 312.894 267 | 11 209.416 686.926 313.181 268 | 12 229.416 663.074 308.877 269 | 13 249.416 702 307.528 270 | 14 269.416 662.956 306.319 271 | 15 289.416 687.044 305.153 272 | 16 309.416 701.998 303.816 273 | 17 329.416 648.747 303.334 274 | 18 349.416 701.255 302.397 275 | 19 369.416 701.407 301.841 276 | 20 389.416 648.68 301.51 277 | 21 409.416 701.913 299.643 278 | 22 429.416 695.366 298.068 279 | 23 449.416 654.636 296.705 280 | 24 469.416 701.997 296.153 281 | 25 489.416 674.442 295.283 282 | 26 509.416 675.558 294.558 283 | 27 529.416 701.999 293.421 284 | 28 549.416 652.712 291.86 285 | 29 569.416 697.29 289.457 286 | 30 589.416 701.832 286.044 287 | 31 609.416 648.61 285.045 288 | 32 629.416 701.558 289.231 289 | 33 649.416 700.51 291.004 290 | 34 669.416 649.494 292.819 291 | 35 689.416 701.996 293.943 292 | 36 709.416 688.105 294.278 293 | 37 729.416 661.895 295.023 294 | 38 749.416 702 296.787 295 | 39 769.416 658.957 298.045 296 | 40 789.416 691.043 299.365 297 | 41 809.416 133.925 298.386 298 | 4000000 41 299 | 1 9.41633 677.524 298.329 300 | 2 29.4163 701.999 300.096 301 | 3 49.4163 654.447 301.013 302 | 4 69.4163 695.554 302.108 303 | 5 89.4163 701.935 302.023 304 | 6 109.416 648.425 304.376 305 | 7 129.416 701.64 306.503 306 | 8 149.416 699.21 309.148 307 | 9 169.416 650.798 310.932 308 | 10 189.416 701.992 314.426 309 | 11 209.416 686.176 313.676 310 | 12 229.416 663.824 310.669 311 | 13 249.416 702 307.921 312 | 14 269.416 663.234 306.557 313 | 15 289.416 686.766 305.534 314 | 16 309.416 702 304.271 315 | 17 329.416 648.633 303.726 316 | 18 349.416 701.368 302.443 317 | 19 369.416 701.625 301.229 318 | 20 389.416 648.439 299.858 319 | 21 409.416 701.937 298.896 320 | 22 429.416 695.964 297.93 321 | 23 449.416 654.038 297.19 322 | 24 469.416 701.998 295.943 323 | 25 489.416 675.349 294.941 324 | 26 509.416 674.651 294.892 325 | 27 529.416 701.999 293.622 326 | 28 549.416 653.011 291.637 327 | 29 569.416 696.99 289.696 328 | 30 589.416 701.757 285.686 329 | 31 609.416 648.74 284.862 330 | 32 629.416 701.504 289.55 331 | 33 649.416 700.558 291.627 332 | 34 669.416 649.45 292.251 333 | 35 689.416 701.992 292.798 334 | 36 709.416 688.634 295.223 335 | 37 729.416 661.366 295.834 336 | 38 749.416 702 296.107 337 | 39 769.416 657.021 296.472 338 | 40 789.416 692.979 297.01 339 | 41 809.416 132.476 297.495 340 | 4500000 41 341 | 1 9.41633 676.635 300.205 342 | 2 29.4163 701.999 300.62 343 | 3 49.4163 654.022 300.868 344 | 4 69.4163 695.978 302.603 345 | 5 89.4163 701.961 304.388 346 | 6 109.416 648.302 305.348 347 | 7 129.416 701.737 307.299 348 | 8 149.416 699.377 308.605 349 | 9 169.416 650.628 309.555 350 | 10 189.416 701.994 312.523 351 | 11 209.416 686.442 313.236 352 | 12 229.416 663.559 308.757 353 | 13 249.416 702 306.857 354 | 14 269.416 663.702 305.247 355 | 15 289.416 686.298 304.709 356 | 16 309.416 702 302.723 357 | 17 329.416 648.668 302.047 358 | 18 349.416 701.332 301.265 359 | 19 369.416 701.715 301.039 360 | 20 389.416 648.32 300.268 361 | 21 409.416 701.966 299.399 362 | 22 429.416 696.302 298.623 363 | 23 449.416 653.699 297.502 364 | 24 469.416 701.999 296.322 365 | 25 489.416 675.15 295.684 366 | 26 509.416 674.85 294.598 367 | 27 529.416 701.998 292.875 368 | 28 549.416 652.166 291.491 369 | 29 569.416 697.836 289.191 370 | 30 589.416 701.754 284.803 371 | 31 609.416 648.676 284.918 372 | 32 629.416 701.57 288.897 373 | 33 649.416 700.251 291.061 374 | 34 669.416 649.765 292.648 375 | 35 689.416 701.985 294.116 376 | 36 709.416 688.317 295.171 377 | 37 729.416 661.683 296.483 378 | 38 749.416 702 297.45 379 | 39 769.416 657.677 298.536 380 | 40 789.416 692.323 298.728 381 | 41 809.416 133.365 299.783 382 | 5000000 41 383 | 1 9.41633 677.672 299.292 384 | 2 29.4163 701.998 301.508 385 | 3 49.4163 653.281 302.867 386 | 4 69.4163 696.72 303.474 387 | 5 89.4163 701.982 303.629 388 | 6 109.416 648.164 304.144 389 | 7 129.416 701.854 305.584 390 | 8 149.416 699.687 307.183 391 | 9 169.416 650.317 308.766 392 | 10 189.416 701.997 312.39 393 | 11 209.416 685.884 313.332 394 | 12 229.416 664.116 309.748 395 | 13 249.416 702 307.892 396 | 14 269.416 665.4 306.706 397 | 15 289.416 684.6 305.627 398 | 16 309.416 701.998 304.713 399 | 17 329.416 649.349 303.851 400 | 18 349.416 700.654 302.466 401 | 19 369.416 701.521 301.32 402 | 20 389.416 648.551 299.848 403 | 21 409.416 701.928 298.861 404 | 22 429.416 696.76 297.582 405 | 23 449.416 653.241 296.408 406 | 24 469.416 701.999 295.56 407 | 25 489.416 675.784 295.065 408 | 26 509.416 674.216 294.659 409 | 27 529.416 702 293.443 410 | 28 549.416 651.873 291.782 411 | 29 569.416 698.127 290.279 412 | 30 589.416 701.82 285.511 413 | 31 609.416 648.591 283.954 414 | 32 629.416 701.589 288.627 415 | 33 649.416 699.789 290.721 416 | 34 669.416 650.224 292.45 417 | 35 689.416 701.986 293.407 418 | 36 709.416 686.424 294.878 419 | 37 729.416 663.576 296.353 420 | 38 749.416 702 297.065 421 | 39 769.416 658.418 297.535 422 | 40 789.416 691.582 298.568 423 | 41 809.416 132.328 298.259 424 | -------------------------------------------------------------------------------- /examples/scaling/input.txt: -------------------------------------------------------------------------------- 1 | height 3.5 #height of your system. This value can be seen from lammps dump file 2 | width 98.6048 # width of your system. This value can be seen from lammps dump file 3 | energy 0.431 # energy input into the system in ev/ps. Should be equal to eheat/rheat of in.heatflux file 4 | frequency 100 # how frequently heat is supplied/extracted from system. Should be equal to value of fix hot/cold of in.heatflux file 5 | dtstep 0.002 # time step used in your md simulation in ps 6 | temperature 100 # Temperature at which the simulation is carried out 7 | nbin_skip 3 # Number of bins to skip from hot and cold region. Adjust this to do the linear fit correctly 8 | plt_op png # This could be 'png' or 'display' depending on how you want the plots to be displayed. 'display' displays on the terminal. 'png' saves as a png image. display requires xterm. 9 | -------------------------------------------------------------------------------- /examples/scaling/input_Lscale.txt: -------------------------------------------------------------------------------- 1 | height 3.5 #height of your system. This value can be seen from lammps dump file 2 | width 98.6048 # width of your system. This value can be seen from lammps dump file 3 | energy 0.431 # energy input into the system in ev/ps. Should be equal to eheat/rheat of in.heatflux file 4 | frequency 100 # how frequently heat is supplied/extracted from system. Should be equal to value of fix hot/cold of in.heatflux file 5 | dtstep 0.002 # time step used in your md simulation in ps 6 | temperature 300 # Temperature at which the simulation is carried out 7 | nbin_skip 3 # Number of bins to skip from hot and cold region. Adjust this to do the linear fit correctly 8 | plt_op png # This could be 'png' or 'display' depending on how you want the plots to be displayed. 'display' displays on the terminal. 'png' saves as a png image. display requires xterm. 9 | -------------------------------------------------------------------------------- /examples/scaling/input_Tscale_100.txt: -------------------------------------------------------------------------------- 1 | height 3.5 #height of your system. This value can be seen from lammps dump file 2 | width 98.6048 # width of your system. This value can be seen from lammps dump file 3 | energy 0.501 # energy input into the system in ev/ps. Should be equal to eheat/rheat of in.heatflux file 4 | frequency 100 # how frequently heat is supplied/extracted from system. Should be equal to value of fix hot/cold of in.heatflux file 5 | dtstep 0.002 # time step used in your md simulation in ps 6 | temperature 100 # Temperature at which the simulation is carried out 7 | nbin_skip 3 # Number of bins to skip from hot and cold region. Adjust this to do the linear fit correctly 8 | plt_op png # This could be 'png' or 'display' depending on how you want the plots to be displayed. 'display' displays on the terminal. 'png' saves as a png image. display requires xterm. 9 | -------------------------------------------------------------------------------- /examples/scaling/input_Tscale_200.txt: -------------------------------------------------------------------------------- 1 | height 3.5 #height of your system. This value can be seen from lammps dump file 2 | width 98.6048 # width of your system. This value can be seen from lammps dump file 3 | energy 0.431 # energy input into the system in ev/ps. Should be equal to eheat/rheat of in.heatflux file 4 | frequency 100 # how frequently heat is supplied/extracted from system. Should be equal to value of fix hot/cold of in.heatflux file 5 | dtstep 0.002 # time step used in your md simulation in ps 6 | temperature 200 # Temperature at which the simulation is carried out 7 | nbin_skip 3 # Number of bins to skip from hot and cold region. Adjust this to do the linear fit correctly 8 | plt_op png # This could be 'png' or 'display' depending on how you want the plots to be displayed. 'display' displays on the terminal. 'png' saves as a png image. display requires xterm. 9 | -------------------------------------------------------------------------------- /examples/scaling/input_Tscale_300.txt: -------------------------------------------------------------------------------- 1 | height 3.5 #height of your system. This value can be seen from lammps dump file 2 | width 98.6048 # width of your system. This value can be seen from lammps dump file 3 | energy 0.431 # energy input into the system in ev/ps. Should be equal to eheat/rheat of in.heatflux file 4 | frequency 100 # how frequently heat is supplied/extracted from system. Should be equal to value of fix hot/cold of in.heatflux file 5 | dtstep 0.002 # time step used in your md simulation in ps 6 | temperature 300 # Temperature at which the simulation is carried out 7 | nbin_skip 3 # Number of bins to skip from hot and cold region. Adjust this to do the linear fit correctly 8 | plt_op png # This could be 'png' or 'display' depending on how you want the plots to be displayed. 'display' displays on the terminal. 'png' saves as a png image. display requires xterm. 9 | -------------------------------------------------------------------------------- /examples/scaling/py_tc_lammps.py: -------------------------------------------------------------------------------- 1 | import matplotlib.pyplot as plt # Plotting package 2 | import numpy as np # For basic math 3 | import pandas as pd # For reading temperature dump files; faster processing than usual read 4 | import linecache # Traversing to specific linenumbers in the file without opening explicitly; faster 5 | #import os 6 | #import subprocess 7 | #import shlex 8 | import sys # For command line args 9 | 10 | plt.style.use('ggplot') # R style plots 11 | 12 | # Class that contains all the data members and member functions required for calculating thermal gradient and Thermal Conductivity 13 | class TC: 14 | def __init__(self, ip_val = {}, temp_data = pd.DataFrame()): 15 | self.ip_val = ip_val # Values from the input files stored as a dict 16 | self.temp_data = temp_data # Values from the Temperature LAMMPS Dump file stored as a pandas df 17 | self.meanTC = 0.0 18 | self.stddevTC = 0.0 19 | self.meaninvTC = 0.0 20 | self.stddevinvTC = 0.0 21 | self.boxsize = 0 22 | 23 | @classmethod # Used to instantiate the class 24 | def read_data(cls, inputfile, tempdata): 25 | input_values = {} 26 | with open(inputfile, 'r') as fin: 27 | for line in fin: 28 | data = line.split() 29 | try : 30 | input_values.update({data[0]:float(data[1])}) 31 | except ValueError: 32 | input_values.update({data[0]:data[1]}) 33 | fin.close() 34 | # Area in Amstrong^2 35 | input_values.update({'Area': input_values['height']*input_values['width']}) 36 | # how frequently heat is added in ps 37 | input_values.update({'delT' : input_values['frequency']*input_values['dtstep']}) 38 | # heatflux = heat in eV/(time(ps)*Area) 39 | input_values.update({'heatflux' : -input_values['energy']/(2.0*input_values['Area']*input_values['delT'])}) 40 | # conversion from eV to Watt 41 | input_values.update({'evtoWatt' : 1.60217733*1000}) 42 | #return input_values 43 | 44 | c = int(linecache.getline(tempdata, 4).split()[1]) + 1 45 | hot = ((c-1)/4) + input_values['nbin_skip'] 46 | cold = ((c-1)*3/4) - input_values['nbin_skip'] 47 | df = pd.read_csv(tempdata, delim_whitespace = True, comment = '#', header = None, names = ['Bin', 'Coord', 'Ncount', 'v_atemp'], chunksize = c, dtype = float) 48 | TC1 = cls(input_values, df) 49 | slope = [] 50 | df1 = pd.DataFrame() 51 | for chunk in TC1.temp_data: 52 | chunk = chunk.dropna() 53 | chunk = chunk.reset_index(drop = True) 54 | TC1.boxsize = round(chunk.at[chunk.shape[0]-1, 'Coord'] - chunk.at[0, 'Coord'] ) 55 | fit_region = [chunk.loc[hot:cold]['Coord'].values, chunk.loc[hot:cold]['v_atemp'].values] 56 | fit=np.polyfit(fit_region[0],fit_region[1],1) 57 | fit_fn=np.poly1d(fit) 58 | slope.append(fit[0]) 59 | df1 = pd.concat((df1, chunk)) 60 | by_row_index = df1.groupby(df1.index) 61 | df_means = by_row_index.mean() 62 | K = [TC1.ip_val['evtoWatt']*TC1.ip_val['heatflux']/i for i in slope] 63 | Kinv = [1.0/i for i in K] 64 | TC1.meanTC = np.mean(K) 65 | TC1.stddevTC = np.std(K) 66 | TC1.meaninvTC = np.mean(Kinv) 67 | TC1.stddevinvTC = np.std(Kinv) 68 | print 'Mean Thermal Conductivity of ',TC1.meanTC ,'\n', 'Standard Deviation in Thermal Conductivity is ',TC1.stddevTC, '\n' 69 | print 'Mean Inverse Thermal Conductivity is', TC1.meaninvTC, '\n', 'Standard Deviation in Inverse Thermal Conductivity is', TC1.stddevinvTC, '\n' 70 | fit_region = [df_means.loc[hot:cold]['Coord'].values, df_means.loc[hot:cold]['v_atemp'].values] 71 | fit=np.polyfit(fit_region[0],fit_region[1],1) 72 | fit_fn=np.poly1d(fit) 73 | df_means.plot('Coord', 'v_atemp', linewidth = 2.0, figsize=(10,8)) 74 | plt.plot(fit_region[0],fit_region[1], linewidth = 3.0) 75 | plt.plot(fit_region[0],fit_region[1],'yo',fit_region[0],fit_fn(fit_region[0]),"--k",linewidth=2.0) 76 | plt.xticks(fontsize=14) 77 | plt.yticks(fontsize=14) 78 | plt.title('Temperature Gradient', color = 'r', fontsize=20) 79 | plt.ylabel('Temperature(K)', fontsize=14) 80 | plt.xlabel('Distance ($\AA$)', fontsize=14) 81 | #plt.show() 82 | if(TC1.ip_val['plt_op'] == 'display'): 83 | plt.show() 84 | elif(TC1.ip_val['plt_op'] == 'png'): 85 | plt.savefig('TC' + str(int(TC1.boxsize)) + str(TC1.ip_val['temperature']) + '.png') 86 | return ((TC1.meaninvTC, TC1.stddevinvTC), 1/TC1.boxsize), ((TC1.meanTC, TC1.stddevTC), TC1.ip_val['temperature']) 87 | 88 | if(__name__ == '__main__'): 89 | scaling_param = {} 90 | with open('scaling_params.txt', 'r') as fin: 91 | for line in fin: 92 | data = line.split() 93 | try : 94 | scaling_param.update({data[0]:float(data[1])}) 95 | except ValueError: 96 | scaling_param.update({data[0]:data[1].split(',')}) 97 | def plotscaling(X = [], Y = [], yerror = [], title = [], xlabel = [], ylabel = [], flag = 'png', scalingtype = 'length'): 98 | fig = plt.figure(figsize=(10,8)) 99 | plt.title(title, color = 'r', fontsize=20) 100 | plt.xlabel(xlabel, fontsize=14) 101 | plt.ylabel(ylabel, fontsize=14) 102 | plt.xticks(fontsize = 14) 103 | plt.yticks(fontsize = 14) 104 | plt.errorbar(X, Y, yerr = yerror) 105 | if(flag == 'display'): 106 | plt.show() 107 | elif(flag == 'png'): 108 | plt.savefig(scalingtype + 'Scaling' + '.png') 109 | 110 | if(not(scaling_param['L_scaling']) and not(scaling_param['T_scaling'])): 111 | plot = TC.read_data(scaling_param['default_ip'][0], scaling_param['default_Tdump'][0]) 112 | lscaling = [] 113 | 114 | if(scaling_param['L_scaling']): 115 | for i in zip(scaling_param['L_scaling_ip'], scaling_param['L_scaling_Tdump']): 116 | lscaling.append(TC.read_data(i[0],i[1])) 117 | plotscaling([i[0][1] for i in lscaling], [i[0][0][0] for i in lscaling],[i[0][0][1] for i in lscaling], 'Length Scaling', 'Inverse Length(x10$\ \mu m^{-1}$)', 'Inverse Thermal Conductivity(mK/W)', flag = scaling_param['plt_op'][0], scalingtype = 'Length') 118 | 119 | tscaling = [] 120 | if(scaling_param['T_scaling']): 121 | for i in zip(scaling_param['T_scaling_ip'], scaling_param['T_scaling_Tdump']): 122 | tscaling.append(TC.read_data(i[0],i[1])) 123 | plotscaling([i[1][1] for i in tscaling], [i[1][0][0] for i in tscaling],[i[1][0][1] for i in tscaling], 'Temperature Scaling', 'Temperature($K$)', 'Thermal Conductivity(W/mK)', scalingtype = 'Temperature', flag = scaling_param['plt_op'][0]) 124 | -------------------------------------------------------------------------------- /examples/scaling/scaling_params.txt: -------------------------------------------------------------------------------- 1 | L_scaling 1 # parameter to specify whether to carry out length scaling or not. 0 means no length scaling. 1 means length scaling required. 2 | T_scaling 1 # parameter to specify whether to carry out temperature scaling or not.0 means no temperature scaling. 1 means temperature scaling required. 3 | default_Tdump Temperature.txt # default temperature dump file for calculating thermal conductivity when no temperature/length scaling is not required 4 | default_ip input.txt # default input file for calculating thermal conductivity when no temperature/length scaling is not required 5 | L_scaling_Tdump L_scale1000.txt,L_scale800.txt,L_scale600.txt # temperature dump files for length scaling 6 | T_scaling_Tdump T_scale100.txt,T_scale200.txt,T_scale300.txt # temperature dump files for temperature scaling 7 | L_scaling_ip input_Lscale.txt,input_Lscale.txt,input_Lscale.txt # input files for length scaling 8 | T_scaling_ip input_Tscale_100.txt,input_Tscale_200.txt,input_Tscale_300.txt # input files for temperature scaling 9 | plt_op png # This could be 'png' or 'display' depending on how you want the plots to be displayed. 'display' displays on the terminal. 'png' saves as a png image. display requires xterm. 10 | -------------------------------------------------------------------------------- /input.txt: -------------------------------------------------------------------------------- 1 | height 3.5 #height of your system. This value can be seen from lammps dump file 2 | width 102.636 # width of your system. This value can be seen from lammps dump file 3 | energy 0.431 # energy input into the system in ev/ps. Should be equal to eheat/rheat of in.heatflux file 4 | frequency 1000 # how frequently heat is supplied/extracted from system. Should be equal to value of fix hot/cold of in.heatflux file 5 | dtstep 0.002 # time step used in your md simulation in ps 6 | temperature 300 # Temperature at which the simulation is carried out 7 | nbin_skip 3 # Number of bins to skip from hot and cold region. Adjust this to do the linear fit correctly 8 | plt_op png # This could be 'png' or 'display' depending on how you want the plots to be displayed. 'display' displays on the terminal. 'png' saves as a png image. display requires xterm. 9 | -------------------------------------------------------------------------------- /py_tc_lammps.py: -------------------------------------------------------------------------------- 1 | import matplotlib.pyplot as plt # Plotting package 2 | import numpy as np # For basic math 3 | import pandas as pd # For reading temperature dump files; faster processing than usual read 4 | import linecache # Traversing to specific linenumbers in the file without opening explicitly; faster 5 | #import os 6 | #import subprocess 7 | #import shlex 8 | import sys # For command line args 9 | 10 | plt.style.use('ggplot') # R style plots 11 | 12 | # Class that contains all the data members and member functions required for calculating thermal gradient and Thermal Conductivity 13 | class TC: 14 | def __init__(self, ip_val = {}, temp_data = pd.DataFrame()): 15 | self.ip_val = ip_val # Values from the input files stored as a dict 16 | self.temp_data = temp_data # Values from the Temperature LAMMPS Dump file stored as a pandas df 17 | self.meanTC = 0.0 18 | self.stddevTC = 0.0 19 | self.meaninvTC = 0.0 20 | self.stddevinvTC = 0.0 21 | self.boxsize = 0 22 | 23 | @classmethod # Used to instantiate the class 24 | def read_data(cls, inputfile, tempdata): 25 | input_values = {} 26 | with open(inputfile, 'r') as fin: 27 | for line in fin: 28 | data = line.split() 29 | try : 30 | input_values.update({data[0]:float(data[1])}) 31 | except ValueError: 32 | input_values.update({data[0]:data[1]}) 33 | fin.close() 34 | # Area in Amstrong^2 35 | input_values.update({'Area': input_values['height']*input_values['width']}) 36 | # how frequently heat is added in ps 37 | input_values.update({'delT' : input_values['frequency']*input_values['dtstep']}) 38 | # heatflux = heat in eV/(time(ps)*Area) 39 | input_values.update({'heatflux' : -input_values['energy']/(2.0*input_values['Area']*input_values['delT'])}) 40 | # conversion from eV to Watt 41 | input_values.update({'evtoWatt' : 1.60217733*1000}) 42 | #return input_values 43 | 44 | c = int(linecache.getline(tempdata, 4).split()[1]) + 1 45 | hot = ((c-1)/4) + input_values['nbin_skip'] 46 | cold = ((c-1)*3/4) - input_values['nbin_skip'] 47 | df = pd.read_csv(tempdata, delim_whitespace = True, comment = '#', header = None, names = ['Bin', 'Coord', 'Ncount', 'v_atemp'], chunksize = c, dtype = float) 48 | TC1 = cls(input_values, df) 49 | slope = [] 50 | df1 = pd.DataFrame() 51 | for chunk in TC1.temp_data: 52 | chunk = chunk.dropna() 53 | chunk = chunk.reset_index(drop = True) 54 | TC1.boxsize = round(chunk.at[chunk.shape[0]-1, 'Coord'] - chunk.at[0, 'Coord'] ) 55 | fit_region = [chunk.loc[hot:cold]['Coord'].values, chunk.loc[hot:cold]['v_atemp'].values] 56 | fit=np.polyfit(fit_region[0],fit_region[1],1) 57 | fit_fn=np.poly1d(fit) 58 | slope.append(fit[0]) 59 | df1 = pd.concat((df1, chunk)) 60 | by_row_index = df1.groupby(df1.index) 61 | df_means = by_row_index.mean() 62 | K = [TC1.ip_val['evtoWatt']*TC1.ip_val['heatflux']/i for i in slope] 63 | Kinv = [1.0/i for i in K] 64 | print Kinv 65 | TC1.meanTC = np.mean(K) 66 | TC1.stddevTC = np.std(K) 67 | TC1.meaninvTC = np.mean(Kinv) 68 | TC1.stddevinvTC = np.std(Kinv) 69 | print 'Mean Thermal Conductivity of ',TC1.meanTC ,'\n', 'Standard Deviation in Thermal Conductivity is ',TC1.stddevTC, '\n' 70 | print 'Mean Inverse Thermal Conductivity is', TC1.meaninvTC, '\n', 'Standard Deviation in Inverse Thermal Conductivity is', TC1.stddevinvTC, '\n' 71 | fit_region = [df_means.loc[hot:cold]['Coord'].values, df_means.loc[hot:cold]['v_atemp'].values] 72 | fit=np.polyfit(fit_region[0],fit_region[1],1) 73 | fit_fn=np.poly1d(fit) 74 | df_means.plot('Coord', 'v_atemp', linewidth = 2.0, figsize=(10,8)) 75 | plt.plot(fit_region[0],fit_region[1], linewidth = 3.0) 76 | plt.plot(fit_region[0],fit_region[1],'yo',fit_region[0],fit_fn(fit_region[0]),"--k",linewidth=2.0) 77 | plt.xticks(fontsize=14) 78 | plt.yticks(fontsize=14) 79 | plt.title('Temperature Gradient', color = 'r', fontsize=20) 80 | plt.ylabel('Temperature(K)', fontsize=14) 81 | plt.xlabel('Distance ($\AA$)', fontsize=14) 82 | #plt.show() 83 | if(TC1.ip_val['plt_op'] == 'display'): 84 | plt.show() 85 | elif(TC1.ip_val['plt_op'] == 'png'): 86 | plt.savefig('TC' + str(int(TC1.boxsize)) + '.png') 87 | return ((TC1.meaninvTC, TC1.stddevinvTC), 1/TC1.boxsize), ((TC1.meanTC, TC1.stddevTC), TC1.ip_val['temperature']) 88 | 89 | if(__name__ == '__main__'): 90 | scaling_param = {} 91 | with open('scaling_params.txt', 'r') as fin: 92 | for line in fin: 93 | data = line.split() 94 | try : 95 | scaling_param.update({data[0]:float(data[1])}) 96 | except ValueError: 97 | scaling_param.update({data[0]:data[1].split(',')}) 98 | print scaling_param 99 | def plotscaling(X = [], Y = [], yerror = [], title = [], xlabel = [], ylabel = [], flag = 'png', scalingtype = 'length'): 100 | fig = plt.figure(figsize=(10,8)) 101 | plt.title(title, color = 'r', fontsize=20) 102 | plt.xlabel(xlabel, fontsize=14) 103 | plt.ylabel(ylabel, fontsize=14) 104 | plt.xticks(fontsize = 14) 105 | plt.yticks(fontsize = 14) 106 | plt.errorbar(X, Y, yerr = yerror) 107 | if(flag == 'display'): 108 | plt.show() 109 | elif(flag == 'png'): 110 | plt.savefig(scalingtype + 'Scaling' + '.png') 111 | 112 | if(not(scaling_param['L_scaling']) and not(scaling_param['T_scaling'])): 113 | plot = TC.read_data(scaling_param['default_ip'][0], scaling_param['default_Tdump'][0]) 114 | lscaling = [] 115 | 116 | if(scaling_param['L_scaling']): 117 | for i in zip(scaling_param['L_scaling_ip'], scaling_param['L_scaling_Tdump']): 118 | lscaling.append(TC.read_data(i[0],i[1])) 119 | plotscaling([i[0][1] for i in lscaling], [i[0][0][0] for i in lscaling],[i[0][0][1] for i in lscaling], 'Length Scaling', 'Inverse Length(x10$\ \mu m^{-1}$)', 'Inverse Thermal Conductivity(mK/W)', flag = scaling_param['plt_op'][0], scalingtype = 'Length') 120 | 121 | tscaling = [] 122 | if(scaling_param['T_scaling']): 123 | for i in zip(scaling_param['T_scaling_ip'], scaling_param['T_scaling_Tdump']): 124 | tscaling.append(TC.read_data(i[0],i[1])) 125 | plotscaling([i[1][1] for i in tscaling], [i[1][0][0] for i in tscaling],[i[1][0][1] for i in tscaling], 'Temperature Scaling', 'Temperature($K$)', 'Thermal Conductivity(W/mK)', scalingtype = 'Temperature', flag = scaling_param['plt_op'][0]) 126 | -------------------------------------------------------------------------------- /scaling_params.txt: -------------------------------------------------------------------------------- 1 | L_scaling 0 # parameter to specify whether to carry out length scaling or not. 0 means no length scaling. 1 means length scaling required. 2 | T_scaling 1 # parameter to specify whether to carry out temperature scaling or not.0 means no temperature scaling. 1 means temperature scaling required. 3 | default_Tdump Temperature.txt # default temperature dump file for calculating thermal conductivity when no temperature/length scaling is not required 4 | default_ip input.txt # default input file for calculating thermal conductivity when no temperature/length scaling is not required 5 | L_scaling_Tdump Temperature.txt,Temperature.txt,Temperature.txt,Temperature.txt # temperature dump files for length scaling 6 | T_scaling_Tdump Temperature.txt,Temperature.txt,Temperature.txt,Temperature.txt # temperature dump files for temperature scaling 7 | L_scaling_ip input.txt,input.txt,input.txt,input.txt # input files for length scaling 8 | T_scaling_ip input.txt,input.txt,input.txt,input.txt # input files for temperature scaling 9 | plt_op png # This could be 'png' or 'display' depending on how you want the plots to be displayed. 'display' displays on the terminal. 'png' saves as a png image. display requires xterm. 10 | --------------------------------------------------------------------------------