ResRamQt: The Archived PyQt Interface

ResRamQt is the archived PyQt6 desktop application that introduced interactive loading, visualization, simulation, and fitting for resonance Raman excitation profiles. GitHub marks the repository archived, and its README directs new users to ResRam_NG.

The application loads a folder of experimental data, displays values in tables and plots, updates excitation profiles when vibrational displacements change, and fits parameters with lmfit. Its output includes solvent, internal, and total reorganization energies calculated from the fitted displacements.

For historical reproduction, the documented setup uses Python 3.10 through 3.12:

git clone https://github.com/Alchemist-Aloha/ResRamQt.git
cd ResRamQt
pip install -r requirements.txt
python ResRamQt.py

Sample abs_exp.dat, deltas.dat, freqs.dat, inp.txt, and profs_exp.dat files are included. Because the repository is archived, compatibility fixes and current scientific work belong in the successor rather than this codebase.

Visit the archived ResRamQt repository when you need the earlier GUI or want to trace the project's development.