def eig_(fock, mo_coeff, idx, es, cs):
if numpy.count_nonzero(idx) > 0:
orb = mo_coeff[:,idx]
f1 = reduce(numpy.dot, (orb.T.conj(), fock, orb))
e, c = scipy.linalg.eigh(f1)
es[idx] = e
c = numpy.dot(mo_coeff[:,idx], c)
cs[:,idx] = hf_symm._symmetrize_canonicalization_(mf.mol, e, c, s)
def eig_(fock, mo_coeff, idx, es, cs):
if numpy.count_nonzero(idx) > 0:
orb = mo_coeff[:,idx]
f1 = reduce(numpy.dot, (orb.T.conj(), fock, orb))
e, c = scipy.linalg.eigh(f1)
es[idx] = e
c = numpy.dot(mo_coeff[:,idx], c)
cs[:,idx] = hf_symm._symmetrize_canonicalization_(mf, e, c, s)