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thermocepstrum
- .git
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    - info
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    - tags
- .gitignore
  
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- .pre-commit-config.yaml
  
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- .style.yapf
  
  146 Bytes
- CONTRIBUTING.md
  
  2.8 kB
- GUI_WISHLIST.md
  
  5.6 kB
- LICENSE.txt
  
  35.8 kB
- MANIFEST.in
  
  396 Bytes
- README.md
  
  2.6 kB
- README_GUI.md
  
  1.9 kB
- data
- examples
  - .ipynb_checkpoints
    - example_cepstrum_doublecomp_NaCl_CORSO-checkpoint.ipynb
      
      6.4 MB
    - example_cepstrum_doublecomp_NaCl_web-course-checkpoint.ipynb
      
      4.8 MB
  - README.md
    
    1.2 kB
  - data
    - NaCl.dat
      
      1.6 MB
    - NaCl.npy
      
      1.7 MB
    - Silica.dat
      
      3.2 MB
    - Silica.npy
      
      3.6 MB
  - example_cepstrum_doublecomp_NaCl.ipynb
    
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  - example_cepstrum_doublecomp_NaCl_CORSO.ipynb
    
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  - example_cepstrum_doublecomp_NaCl_web-course.ipynb
    
    4.8 MB
  - example_cepstrum_singlecomp_silica.ipynb
    
    1.0 MB
  - example_commandline_NaCl
    - README.md
      
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    - command.sh
      
      334 Bytes
    - output_ref.cepstral.dat
      
      216.5 kB
    - output_ref.cepstrumfiltered_psd.dat
      
      108.6 kB
    - output_ref.cospectrum.dat
      
      2.7 MB
    - output_ref.cospectrum.filt.dat
      
      2.7 MB
    - output_ref.log
      
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    - output_ref.plots.pdf
      
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    - output_ref.psd.dat
      
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    - output_ref.resampled_psd.dat
      
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- logs
- outputs
- pack.sh
  
  450 Bytes
- setup.json
  
  1.9 kB
- setup.py
  
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- tests
  - README.md
    
    427 Bytes
  - data
    
    16 Bytes
  - test_as_example.py
    
    2.4 kB
- thcp.ini
  
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- thermocepstrum
  - README.md
    
    12 Bytes
  - __init__.py
    
    106 Bytes
  - analysis.py
    
    35.2 kB
  - heatcurrent.py
    
    25.2 kB
  - i_o
    - __init__.py
      
      238 Bytes
    - extract_lammps_thermo.sh
      
      3.7 kB
    - read_lammps_datafile.py
      
      940 Bytes
    - read_lammps_dump.py
      
      20.1 kB
    - read_lammps_log.py
      
      19.3 kB
    - read_tablefile.py
      
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  - md
    - __init__.py
      
      388 Bytes
    - acf.py
      
      9.1 kB
    - aic.py
      
      6.2 kB
    - armodel.py
      
      6.5 kB
    - cepstral.py
      
      13.3 kB
    - lpfilter.py
      
      2.3 kB
    - mdsample.py
      
      20.6 kB
    - tools.py
      
      3.6 kB
    - units.py
      
      2.4 kB
  - utils
    - __init__.py
      
      37 Bytes
    - blockanalysis.py
      
      22.0 kB
    - blocks.py
      
      21.7 kB
    - loadAfterPlt.py
      
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    - plot_style.mplstyle
      
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    - utils.py
      
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- thermocepstrum_gui
  - README_GUI.md
    
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  - __init__.py
    
    0 Bytes
  - assets
    - __init__.py
      
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    - icon.gif
      
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    - languages.json
      
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    - window_icon.ico
      
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  - core
    - __init__.py
      
      59 Bytes
    - control_unit.py
      
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    - settings.py
      
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  - interfaces
    - __init__.py
      
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    - fileManager.py
      
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    - fstarSelector.py
      
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    - otherVariables.py
      
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  - main.py
    
    5.8 kB
  - thcp.ini
    
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  - utils
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    - __init__.py
      
      40 Bytes
    - custom_widgets.py
      
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    - utils.py
      
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- tox.ini
  
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thermocepstrum.zip