pass explicitly the nHOMOs, nLUMOs, couplings_range to the function that calculate the coupling
pass explicitly the nHOMOs, nLUMOs, couplings_range to the function that calculate the coupling

SCM-NV/qmworks-namd,felipeZ/nonAdiabaticCoupling,felipeZ/nonAdiabaticCoupling,SCM-NV/qmworks-namd