/tools/galore

galore

SMTG-Bham/galore

44 stars12 forksPythonAdded February 8, 2026
summary

Galore is a Python package designed for applying Gaussian and Lorentzian broadening to data from ab initio calculations. It is primarily used for simulating electronic density-of-states and Raman spectra, making it a useful tool in the field of molecular simulations.

description

Gaussian and Lorentzian smearing of simulated spectra

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