rgmol.extract_adf.extract_condensed_kernel

extract_adf.extract_condensed_kernel(file)

Extracts the condensed kernels from an adf output

Parameters:

file (str)

Returns:

• Linear response (ndarray) – The condensed linear response kernel

• Softness Kernel (ndarray) – The condensed softness kernel

• Name (list of str) – The name of the atoms