Preview

thermocepstrum-develop
- .github
  - workflows
    - ci.yml
      
      1.5 kB
- .gitignore
  
  1.2 kB
- .pre-commit-config.yaml
  
  1.3 kB
- .style.yapf
  
  140 Bytes
- GUI_WISHLIST.md
  
  5.5 kB
- LICENSE.txt
  
  35.1 kB
- MANIFEST.in
  
  405 Bytes
- README.md
  
  2.6 kB
- README_GUI.md
  
  1.8 kB
- examples
  - README.md
    
    1.1 kB
  - data
    - NaCl.dat
      
      1.5 MB
    - Silica.dat
      
      3.1 MB
    - Silica.npy
      
      3.6 MB
  - example_cepstrum_doublecomp_NaCl.ipynb
    
    1.8 MB
  - example_cepstrum_singlecomp_silica.ipynb
    
    2.1 MB
  - example_commandline_NaCl
    - README.md
      
      4.0 kB
    - command.sh
      
      327 Bytes
    - output_ref.cepstral.dat
      
      215.1 kB
    - output_ref.cepstrumfiltered_psd.dat
      
      107.2 kB
    - output_ref.cospectrum.dat
      
      2.5 MB
    - output_ref.cospectrum.filt.dat
      
      2.5 MB
    - output_ref.log
      
      1.8 kB
    - output_ref.plots.pdf
      
      300.5 kB
    - output_ref.psd.dat
      
      1.3 MB
    - output_ref.resampled_psd.dat
      
      178.7 kB
- setup.json
  
  2.0 kB
- setup.py
  
  718 Bytes
- tests
  - README.md
    
    424 Bytes
  - conftest.py
    
    1.6 kB
  - data
    
    16 Bytes
  - test_as_example
    - test_example_NaCl.csv
      
      155.5 kB
    - test_example_NaCl.yml
      
      12 Bytes
    - test_example_SiO2.csv
      
      310.0 kB
    - test_example_SiO2.yml
      
      13 Bytes
  - test_as_example.py
    
    1.8 kB
  - test_cli
    - output.log.txt
      
      1.6 kB
    - stderr.txt
      
      0 Bytes
    - stdout.txt
      
      2.7 kB
    - test_cli_NaCl.csv
      
      5.3 MB
    - test_cli_bin_output_NaCl.csv
      
      3.8 MB
  - test_cli.py
    
    2.2 kB
- thermocepstrum
  - README.md
    
    12 Bytes
  - __init__.py
    
    168 Bytes
  - analysis.py
    
    32.4 kB
  - current
    - __init__.py
      
      189 Bytes
    - current.py
      
      16.8 kB
    - electric.py
      
      2.2 kB
    - heat.py
      
      2.1 kB
    - stress.py
      
      2.1 kB
    - units
      - __init__.py
        
        96 Bytes
      - constants.py
        
        547 Bytes
      - electric.py
        
        2.2 kB
      - heat.py
        
        1.6 kB
      - stress.py
        
        2.3 kB
  - i_o
    - __init__.py
      
      205 Bytes
    - binary.py
      
      3.9 kB
    - extract_lammps_thermo.sh
      
      3.6 kB
    - read_lammps_datafile.py
      
      864 Bytes
    - read_lammps_dump.py
      
      19.7 kB
    - read_lammps_log.py
      
      18.9 kB
    - read_tablefile.py
      
      12.4 kB
  - md
    - __init__.py
      
      110 Bytes
    - aic.py
      
      6.0 kB
    - cepstral.py
      
      12.9 kB
    - mdsample.py
      
      23.4 kB
    - resample.py
      
      5.7 kB
    - tools
      - __init__.py
        
        95 Bytes
      - acf.py
        
        9.3 kB
      - armodel.py
        
        6.3 kB
      - filter.py
        
        539 Bytes
      - lpfilter.py
        
        2.1 kB
      - resample.py
        
        1.5 kB
      - spectrum.py
        
        1.2 kB
  - plotter
    - __init__.py
      
      63 Bytes
    - plot_style.mplstyle
      
      1.0 kB
    - plotter.py
      
      21.4 kB
  - utils
    - __init__.py
      
      280 Bytes
    - attributedict.py
      
      2.6 kB
    - blockanalysis.py
      
      21.3 kB
    - blocks.py
      
      21.0 kB
    - loadAfterPlt.py
      
      610 Bytes
    - logger.py
      
      638 Bytes
- thermocepstrum_gui
  - README_GUI.md
    
    16 Bytes
  - __init__.py
    
    0 Bytes
  - assets
    - __init__.py
      
      453 Bytes
    - icon.gif
      
      2.0 kB
    - languages.json
      
      8.8 kB
    - window_icon.ico
      
      30.2 kB
  - core
    - __init__.py
      
      81 Bytes
    - control_unit.py
      
      17.6 kB
    - settings.py
      
      871 Bytes
  - interfaces
    - __init__.py
      
      375 Bytes
    - fileManager.py
      
      11.6 kB
    - fstarSelector.py
      
      8.3 kB
    - headerSelector.py
      
      8.0 kB
    - otherVariables.py
      
      8.9 kB
    - pstarSelector.py
      
      6.9 kB
  - main.py
    
    5.7 kB
  - thcp.ini
    
    66 Bytes
  - utils
    - __init__.py
      
      41 Bytes
    - custom_widgets.py
      
      40.1 kB
    - tk_html_widgets
      - LICENSE
        
        1.1 kB
      - __init__.py
        
        4.5 kB
      - html_parser.py
        
        24.8 kB
    - utils.py
      
      1.8 kB

thermocepstrum-develop.zip