iostream

edrixs.iostream.dump_poles(obj, file_name='poles')

Dump the objects of poles returned from XAS or RIXS calculations to file for later plotting.

Parameters:

obj: Python object

Object of poles, a dict or a list of dicts.

file_name: string

File name.

edrixs.iostream.load_poles(file_name='poles')

Load the objects of poles from file.

Parameters:

file_name: string

Returns:

obj: Python objects

Poles object.

edrixs.iostream.read_poles_from_file(file_list)

Read informations in files xas_poles.n or rixs_poles.n to a dict.

Parameters:

file_list: list of strings

Names of pole files.

pole_dict: dict

A dict containing information of poles.

edrixs.iostream.write_config(directory='.', ed_solver=1, num_val_orbs=2, num_core_orbs=2, neval=1, nvector=1, ncv=1, idump=True, num_gs=1, maxiter=500, linsys_max=1000, min_ndim=1000, nkryl=500, eigval_tol=1e-08, linsys_tol=1e-10, omega_in=0.0, gamma_in=0.1)

Write control parameters in config.in file for ed_fsolver.

edrixs.iostream.write_emat(emat, fname, tol=1e-12, fmt_int='{:10d}', fmt_float='{:.15f}')

Write the nonzeros of the rank-2 hopping matrices to file. The first line is the number of nonzeros, and the following lines are the nonzero elements. This file will be read by ed.x, xas.x or rixs.x.

Parameters:

emat: 2d complex array

The array to be written.

fname: str

File name.

tol: float

Precision.

fmt_int: str (default: ‘{:10d}’)

Format for printing integer numbers.

fmt_float: str (default: ‘{:.15f}’)

Format for printing float numbers.

edrixs.iostream.write_tensor(tensor, fname, only_nonzeros=False, tol=1e-10, fmt_int='{:10d}', fmt_float='{:.15f}')

Write \(n\) -dimension numpy array to file, currently, \(n\) can be 1, 2, 3, 4, 5.

Parameters:

tensor: :math:`n` d float or complex array

The array needs to be written.

fname: str

File name.

only_nonzeros: logical (default: False)

Only write nonzero elements.

tol: float (default: 1E-10)

Only write the elements when their absolute value are larger than tol and only_nonzeros=True.

fmt_int: str (default: ‘{:10d}’)

The format for printing integer numbers.

fmt_float: str (default: ‘{:.15f}’)

The format for printing float numbers.

edrixs.iostream.write_umat(umat, fname, tol=1e-12, fmt_int='{:10d}', fmt_float='{:.15f}')

Write the nonzeros of the rank-4 Coulomb U tensor to file. The first line is the number of nonzeros, and the following lines are the nonzero elements. This file will be read by ed.x, xas.x or rixs.x.

Parameters:

umat: 4d complex array

The array to be written.

fname: str

File name.

tol: float (default: 1E-12)

Precision.

fmt_int: str (default: ‘{:10d}’)

Format for printing integer numbers.

fmt_float: str (default: ‘{:.15f}’)

Format for printing float numbers.