def test_norm_struct_gradient(self):
"""Norm structure gradient"""
numstrgr = fd.clgrad(self.WF, 'norm', 'coef')()
anastrgr, _ = self.WF.normgrad()
np.testing.assert_allclose(numstrgr, anastrgr, rtol=self.delta)
def test_norm_gradient(self):
ab = Structure([self.ab00], [1.0])
#assert False
num_diff = clgrad(ab, 'overlap', 'C')()
ana_diff = ab.overlap_gradient()
np.testing.assert_allclose(ana_diff, num_diff, rtol=DELTA, atol=DELTA)
