test_minimized_constrained.py 文件源码

def grad(self, x):
        dx, dy, dz = self._compute_coordinate_deltas(x)

        with np.errstate(divide='ignore'):
            dm3 = (dx**2 + dy**2 + dz**2) ** -1.5
        dm3[np.diag_indices_from(dm3)] = 0

        grad_x = -np.sum(dx * dm3, axis=1)
        grad_y = -np.sum(dy * dm3, axis=1)
        grad_z = -np.sum(dz * dm3, axis=1)

        return np.hstack((grad_x, grad_y, grad_z))