def test_final_constraints_structure_norm_grad_2(self):
constraint_grad = VBMinimizer.constraint_structure_norm_grad(2)(self.final, self.xfg)
gradf = findif.ndgrad(VBMinimizer.constraint_structure_norm(2))
constraint_numgrad = gradf(self.final, self.xfg)
numpy.testing.assert_allclose(constraint_grad, constraint_numgrad)
def test_final_constraints_orbital_norm_grad_1(self):
constraint_grad = VBMinimizer.constraint_orbital_norm_grad(1)(self.final, self.xfg)
gradf = findif.ndgrad(VBMinimizer.constraint_orbital_norm(1))
constraint_numgrad = gradf(self.final, self.xfg)
numpy.testing.assert_allclose(constraint_grad, constraint_numgrad)
def test_final_energy_gradient(self):
constraint_numgrad = findif.ndgrad(self.xfg.f)(self.final, self.xfg).view(full.matrix)
constraint_grad = self.xfg.g(self.final, self.xfg)
numpy.testing.assert_allclose(constraint_grad, constraint_numgrad, atol=1e-7)
def test_final_constraints_norm_grad(self):
constraint_numgrad = findif.ndgrad(VBMinimizer.constraint_norm)
constraint_grad = VBMinimizer.constraint_norm_grad(self.final, self.xfg)
numpy.testing.assert_allclose(constraint_grad, constraint_numgrad, atol=1e-7)
def test_final_constraints_structure_3_grad(self):
constraint_numgrad = findif.ndgrad(self.constraints[3]['fun'])(self.final, self.wf).view(full.matrix)
constraint_grad = self.constraints[3]['jac'](self.final, self.wf)
numpy.testing.assert_allclose(constraint_grad, constraint_numgrad)
