Source code for pynao.m_get_sp_mu2s

import numpy as np

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def get_sp_mu2s(sp2nmult,sp_mu2j):
    """  Generates list of start indices for atomic orbitals, based on the counting arrays """
    sp_mu2s = []
    for sp,(nmu,mu2j) in enumerate(zip(sp2nmult,sp_mu2j)):
        mu2s = np.zeros((nmu+1), dtype='int64')
        for mu in range(nmu):
            mu2s[mu+1] = sum(2*mu2j[0:mu+1]+1)
        sp_mu2s.append(mu2s)
    
    return sp_mu2s