example_inverse_design.py File Reference

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Namespaces
namespace	example_inverse_design

Variables
	example_inverse_design.bilayer = make_aa_prime_mos2_bilayer(6.5)
	example_inverse_design.b1u = np.array([Fraction(0, 1), Fraction(1, 1)], dtype=object)
	example_inverse_design.b2u = np.array([Fraction(0, 1), Fraction(0, 1)], dtype=object)
	example_inverse_design.b3u = np.array([Fraction(0, 1), Fraction(0, 1)], dtype=object)
	example_inverse_design.l1u = np.array([Fraction(-1, 1), Fraction(1, 1)], dtype=object)
	example_inverse_design.l2u = np.array([Fraction(121, 1), Fraction(119, 1)], dtype=object)
	example_inverse_design.beta = Fraction(1, 1)
	example_inverse_design.result
	example_inverse_design.F = result.F
	example_inverse_design.hetero_bilayer
	example_inverse_design.sigmaA = abs(hetero_bilayer.bicrystal.sigmaA)
	example_inverse_design.sigmaB = abs(hetero_bilayer.bicrystal.sigmaB)
	example_inverse_design.exp_number_of_atoms_top_layer = sigmaA * len(hetero_bilayer.top_layer.basis_atoms)
	example_inverse_design.exp_number_of_atoms_bottom_layer = sigmaB * len(hetero_bilayer.bottom_layer.basis_atoms)
	example_inverse_design.bicrystal = hetero_bilayer.bicrystal
	example_inverse_design.ell1 = gb.LatticeVector2D(np.array([1, 0], dtype=np.int64), bicrystal.csl)
	example_inverse_design.ell2 = gb.LatticeVector2D(np.array([0, 1], dtype=np.int64), bicrystal.csl)
	example_inverse_design.positions
	example_inverse_design.atom_types
	example_inverse_design.charges
	example_inverse_design.labels
	example_inverse_design.molecule_ids
bool	example_inverse_design.do_rotate = True
	example_inverse_design.ell1_cart = np.array(ell1.cartesian(), dtype=float)
	example_inverse_design.ell2_cart = np.array(ell2.cartesian(), dtype=float)
	example_inverse_design.theta = np.arctan2(ell1_cart[1], ell1_cart[0])
	example_inverse_design.R
	example_inverse_design.filename
	example_inverse_design.atom_style
	example_inverse_design.z_padding