https://github.com/henriquecsj/orcaspectrumplot
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.
https://github.com/henriquecsj/orcaspectrumplot
fwhm gui orca plot quantum-chemistry spectrum
Last synced: 3 months ago
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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.
- Host: GitHub
- URL: https://github.com/henriquecsj/orcaspectrumplot
- Owner: HenriqueCSJ
- License: gpl-3.0
- Created: 2023-11-06T14:45:56.000Z (over 2 years ago)
- Default Branch: main
- Last Pushed: 2023-11-08T20:35:45.000Z (over 2 years ago)
- Last Synced: 2024-01-25T00:11:23.407Z (over 2 years ago)
- Topics: fwhm, gui, orca, plot, quantum-chemistry, spectrum
- Language: Python
- Homepage:
- Size: 111 KB
- Stars: 0
- Watchers: 1
- Forks: 0
- Open Issues: 0
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Metadata Files:
- Readme: README.md
- License: LICENSE