gem.utility.utilities

Functions

Hermitian_list(N, *[, dtype])	Return an orthonormal (Hilbert–Schmidt) basis of N×N Hermitian matrices.
U_matrix_kanamori(n_orb, U_int, J_hund)	Calculate the Kanamori U and Uprime matrices. Parameters ---------- n_orb : integer Number of orbitals in basis. U_int : scalar Value of the screened Hubbard interaction. J_hund : scalar Value of the Hund's coupling. Returns ------- U_matrix : float numpy array The four-index interaction matrix in the chosen basis.
calc_Fermi(x)	calculate the fermi function for a vector x.
calc_Lambda(R, Lambda_c, Delta_p, D, H_list)	Compute Lambda matrix from R, D, Lambda_c and Delta.
calc_Lambda_c(R, Lambda, Delta_p, D, H_list)	Compute Lambda_c matrix from R, D, Lambda and Delta.
calc_nf(H, T)
cut_small(mat[, tol])	Utility function that sets all elements smaller than "tol" to zero in an numpy ndarray.
dF(A, H, function, d_function)
ddenRm1(x)
denR(x)
denRm1(x)
funcMat(H, f[, tol, pr])	Apply a scalar function f to a Hermitian matrix H via diagonalization.
inverse_realHcombination(H, H_list)	x[i] = Re[Tr(H_list[i] @ H)] for Hermitian basis (returns real vector).
realHcombination(x, H_list)	H = sum_i x[i] * H_list[i] (x real).