• Stars
    star
    1
  • Language
    Python
  • License
    GNU General Publi...
  • Created about 1 year ago
  • Updated about 1 year ago

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Repository Details

ORCASpectrumPlot is a GUI tool for visualizing and processing ORCA quantum chemistry software's .spectrum files. It features Gaussian convolution for spectral broadening, energy shift adjustments, and interactive plotting with options to save processed data.