diff --git a/src/aiida_vibroscopy/utils/broadenings.py b/src/aiida_vibroscopy/utils/broadenings.py index 35aa942..f7960f4 100644 --- a/src/aiida_vibroscopy/utils/broadenings.py +++ b/src/aiida_vibroscopy/utils/broadenings.py @@ -49,7 +49,7 @@ def multilorentz(x_range: np.ndarray, peaks: list[float], intensities: list[floa raise ValueError("length of `gammas` and `peaks` doesn't match") sigmas = deepcopy(gammas) else: - sigmas = float(gammas) + sigmas = [float(gammas) for _ in peaks] if len(intensities) != len(peaks): raise ValueError("length of `intensities` and `peaks` doesn't match") @@ -164,7 +164,7 @@ def multilvoigt( raise ValueError("length of `gammas_lorentz` and `peaks` doesn't match") sigmas = deepcopy(gammas_lorentz) else: - sigmas = float(gammas_lorentz) + sigmas = [float(gammas_lorentz) for _ in peaks] if len(intensities) != len(peaks): raise ValueError("length of `intensities` and `peaks` doesn't match") diff --git a/tests/utils/test_broadening.py b/tests/utils/test_broadening.py index 3a1b03c..cc4de0d 100644 --- a/tests/utils/test_broadening.py +++ b/tests/utils/test_broadening.py @@ -20,7 +20,7 @@ def _generate_lorentz_inputs(multi=False): x_range = np.arange(0, 100, 0.1) peak = 50.0 intensity = 1.0 - sigma = 10.0 + sigma = 10 if multi: peak = [20.0, 30.0, 40.0]